data_11469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11469 _Entry.Title ; Solution structure of the plant homeodomain (PHD) of the E3 SUMO ligase Siz1 from rice ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-11 _Entry.Accession_date 2012-01-13 _Entry.Last_release_date 2012-08-13 _Entry.Original_release_date 2012-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Heisaburo Shindo . . . 11469 2 Wataru Tsuchiya . . . 11469 3 Rintaro Suzuki . . . 11469 4 Toshimasa Yamazaki . . . 11469 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11469 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 SUMO ligase' . 11469 'histone binding' . 11469 'plant homeodomain (PHD)' . 11469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 11469 '15N chemical shifts' 72 11469 '1H chemical shifts' 460 11469 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-13 2012-01-11 original author . 11469 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSD 'BMRB Entry Tracking System' 11469 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11469 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22626555 _Citation.Full_citation . _Citation.Title 'PHD finger of the SUMO ligase Siz/PIAS family in rice reveals specific binding for methylated histone H3 at lysine 4 and arginine 2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 586 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1783 _Citation.Page_last 1789 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Heisaburo Shindo . . . 11469 1 2 Rintaro Suzuki . . . 11469 1 3 Wataru Tsuchiya . . . 11469 1 4 Misako Taichi . . . 11469 1 5 Yuji Nishiuchi . . . 11469 1 6 Toshimasa Yamazaki . . . 11469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11469 _Assembly.ID 1 _Assembly.Name 'the plant homeodomain (PHD) of the E3 SUMO ligase Siz1 from rice' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11469 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 11469 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 11469 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 protein 1 CYS 13 13 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 117 CYS SG . . 901 . ZN 11469 1 2 covalent single . 1 protein 1 CYS 15 15 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 119 CYS SG . . 901 . ZN 11469 1 3 covalent single . 1 protein 1 HIS 37 37 ND1 . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 141 HIS ND1 . . 901 . ZN 11469 1 4 covalent single . 1 protein 1 CYS 40 40 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 144 CYS SG . . 901 . ZN 11469 1 5 covalent single . 1 protein 1 CYS 27 27 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 131 CYS SG . . 902 . ZN 11469 1 6 covalent single . 1 protein 1 CYS 32 32 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 136 CYS SG . . 902 . ZN 11469 1 7 covalent single . 1 protein 1 CYS 59 59 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 163 CYS SG . . 902 . ZN 11469 1 8 covalent single . 1 protein 1 CYS 62 62 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 166 CYS SG . . 902 . ZN 11469 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 62 62 HG . 270 . . 11469 1 . . 1 1 CYS 59 59 HG . 267 . . 11469 1 . . 1 1 CYS 32 32 HG . 240 . . 11469 1 . . 1 1 CYS 27 27 HG . 235 . . 11469 1 . . 1 1 CYS 40 40 HG . 248 . . 11469 1 . . 1 1 CYS 15 15 HG . 223 . . 11469 1 . . 1 1 CYS 13 13 HG . 221 . . 11469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11469 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDSFQPEAKVRCICSSTMV NDSMIQCEDQRCQVWQHLNC VLIPDKPGESAEVPPVFYCE LCRLSRAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 105-106 represent a non-native sequence from affinity tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Plant homeodomain of E3 SUMO ligase Siz1.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7671.758 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RSD . "Solution Structure Of The Plant Homeodomain (Phd) Of The E3 Sumo Ligase Siz1 From Rice" . . . . . 100.00 68 100.00 100.00 1.37e-41 . . . . 11469 1 2 no DBJ BAF16431 . "Os05g0125000 [Oryza sativa Japonica Group]" . . . . . 97.06 875 100.00 100.00 2.40e-37 . . . . 11469 1 3 no DBJ BAG97182 . "unnamed protein product [Oryza sativa Japonica Group]" . . . . . 97.06 875 100.00 100.00 2.40e-37 . . . . 11469 1 4 no DBJ BAS92058 . "Os05g0125000 [Oryza sativa Japonica Group]" . . . . . 97.06 875 100.00 100.00 2.40e-37 . . . . 11469 1 5 no GB AAT39226 . "putative DNA-binding protein [Oryza sativa Japonica Group]" . . . . . 97.06 875 100.00 100.00 2.40e-37 . . . . 11469 1 6 no GB EEC78434 . "hypothetical protein OsI_18272 [Oryza sativa Indica Group]" . . . . . 97.06 924 100.00 100.00 2.70e-37 . . . . 11469 1 7 no GB EEE62174 . "hypothetical protein OsJ_16961 [Oryza sativa Japonica Group]" . . . . . 97.06 913 100.00 100.00 2.26e-37 . . . . 11469 1 8 no REF NP_001054517 . "Os05g0125000 [Oryza sativa Japonica Group]" . . . . . 97.06 875 100.00 100.00 2.40e-37 . . . . 11469 1 9 no SP Q6L4L4 . "RecName: Full=E3 SUMO-protein ligase SIZ1" . . . . . 97.06 875 100.00 100.00 2.40e-37 . . . . 11469 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 105 GLY . 11469 1 2 106 SER . 11469 1 3 107 ASP . 11469 1 4 108 SER . 11469 1 5 109 PHE . 11469 1 6 110 GLN . 11469 1 7 111 PRO . 11469 1 8 112 GLU . 11469 1 9 113 ALA . 11469 1 10 114 LYS . 11469 1 11 115 VAL . 11469 1 12 116 ARG . 11469 1 13 117 CYS . 11469 1 14 118 ILE . 11469 1 15 119 CYS . 11469 1 16 120 SER . 11469 1 17 121 SER . 11469 1 18 122 THR . 11469 1 19 123 MET . 11469 1 20 124 VAL . 11469 1 21 125 ASN . 11469 1 22 126 ASP . 11469 1 23 127 SER . 11469 1 24 128 MET . 11469 1 25 129 ILE . 11469 1 26 130 GLN . 11469 1 27 131 CYS . 11469 1 28 132 GLU . 11469 1 29 133 ASP . 11469 1 30 134 GLN . 11469 1 31 135 ARG . 11469 1 32 136 CYS . 11469 1 33 137 GLN . 11469 1 34 138 VAL . 11469 1 35 139 TRP . 11469 1 36 140 GLN . 11469 1 37 141 HIS . 11469 1 38 142 LEU . 11469 1 39 143 ASN . 11469 1 40 144 CYS . 11469 1 41 145 VAL . 11469 1 42 146 LEU . 11469 1 43 147 ILE . 11469 1 44 148 PRO . 11469 1 45 149 ASP . 11469 1 46 150 LYS . 11469 1 47 151 PRO . 11469 1 48 152 GLY . 11469 1 49 153 GLU . 11469 1 50 154 SER . 11469 1 51 155 ALA . 11469 1 52 156 GLU . 11469 1 53 157 VAL . 11469 1 54 158 PRO . 11469 1 55 159 PRO . 11469 1 56 160 VAL . 11469 1 57 161 PHE . 11469 1 58 162 TYR . 11469 1 59 163 CYS . 11469 1 60 164 GLU . 11469 1 61 165 LEU . 11469 1 62 166 CYS . 11469 1 63 167 ARG . 11469 1 64 168 LEU . 11469 1 65 169 SER . 11469 1 66 170 ARG . 11469 1 67 171 ALA . 11469 1 68 172 ASP . 11469 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11469 1 . SER 2 2 11469 1 . ASP 3 3 11469 1 . SER 4 4 11469 1 . PHE 5 5 11469 1 . GLN 6 6 11469 1 . PRO 7 7 11469 1 . GLU 8 8 11469 1 . ALA 9 9 11469 1 . LYS 10 10 11469 1 . VAL 11 11 11469 1 . ARG 12 12 11469 1 . CYS 13 13 11469 1 . ILE 14 14 11469 1 . CYS 15 15 11469 1 . SER 16 16 11469 1 . SER 17 17 11469 1 . THR 18 18 11469 1 . MET 19 19 11469 1 . VAL 20 20 11469 1 . ASN 21 21 11469 1 . ASP 22 22 11469 1 . SER 23 23 11469 1 . MET 24 24 11469 1 . ILE 25 25 11469 1 . GLN 26 26 11469 1 . CYS 27 27 11469 1 . GLU 28 28 11469 1 . ASP 29 29 11469 1 . GLN 30 30 11469 1 . ARG 31 31 11469 1 . CYS 32 32 11469 1 . GLN 33 33 11469 1 . VAL 34 34 11469 1 . TRP 35 35 11469 1 . GLN 36 36 11469 1 . HIS 37 37 11469 1 . LEU 38 38 11469 1 . ASN 39 39 11469 1 . CYS 40 40 11469 1 . VAL 41 41 11469 1 . LEU 42 42 11469 1 . ILE 43 43 11469 1 . PRO 44 44 11469 1 . ASP 45 45 11469 1 . LYS 46 46 11469 1 . PRO 47 47 11469 1 . GLY 48 48 11469 1 . GLU 49 49 11469 1 . SER 50 50 11469 1 . ALA 51 51 11469 1 . GLU 52 52 11469 1 . VAL 53 53 11469 1 . PRO 54 54 11469 1 . PRO 55 55 11469 1 . VAL 56 56 11469 1 . PHE 57 57 11469 1 . TYR 58 58 11469 1 . CYS 59 59 11469 1 . GLU 60 60 11469 1 . LEU 61 61 11469 1 . CYS 62 62 11469 1 . ARG 63 63 11469 1 . LEU 64 64 11469 1 . SER 65 65 11469 1 . ARG 66 66 11469 1 . ALA 67 67 11469 1 . ASP 68 68 11469 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11469 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 11469 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 11469 2 ZN 'Three letter code' 11469 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 11469 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 11469 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11469 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 39947 organism . 'Oryza sativa subsp. japonica' 'Oryza sativa subsp. japonica' . . Eukaryota Viridiplantae Oryza 'Oryza sativa' . . . . . . . . . . . . . . . . . . . . . 11469 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 11469 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-4T-3 . . . . . . 11469 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 11469 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 11469 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 11469 ZN [Zn++] SMILES CACTVS 3.341 11469 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11469 ZN [Zn+2] SMILES ACDLabs 10.04 11469 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11469 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11469 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11469 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11469 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11469 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11469 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OsSiz1-PHD '[U-13C; U-15N]' . . 1 $entity_1 . protein . 0.5 1.0 mM . . . . 11469 2 2 'ZINC ION' 'natural abundance' . . . . . . . 1.0 2.0 mM . . . . 11469 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11469 2 4 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11469 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11469 2 6 H2O . . . . . . solvent 92 . . % . . . . 11469 2 7 D2O . . . . . . solvent 8 . . % . . . . 11469 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11469 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OsSiz1-PHD '[U-13C; U-15N]' . . 1 $entity_1 . protein . 0.5 1.0 mM . . . . 11469 1 2 'ZINC ION' 'natural abundance' . . . . . . . 1.0 2.0 mM . . . . 11469 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11469 1 4 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 11469 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11469 1 6 D2O . . . . . . solvent 100 . . % . . . . 11469 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11469 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 11469 1 pressure 1 . atm 11469 1 temperature 298 . K 11469 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11469 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11469 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11469 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'released at Feb 10, 2006' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11469 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11469 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11469 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11469 3 'peak picking' 11469 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11469 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11469 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11469 4 'structure solution' 11469 4 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 11469 _Software.ID 5 _Software.Name TALOS+ _Software.Version 1.01F _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu and Bax' . . 11469 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11469 5 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 11469 _Software.ID 6 _Software.Name AQUA _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 11469 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11469 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11469 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 11469 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11469 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11469 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 750 . . . 11469 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11469 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 6 '3D HCABGCO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 8 '3D 15N-separated NOESY-HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 9 '3D 13C/15N-separated NOESY-HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 10 '4D 13C/13C-separated NOESY-HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11469 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11469 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . . . . . 11469 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 11469 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 11469 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11469 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Assignment errors and figures of merit represent SDev values and assignment numbers in chemical shift list of Sparky, respectively.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11469 1 2 '2D 1H-13C HSQC' . . . 11469 1 3 '3D CBCA(CO)NH' . . . 11469 1 4 '3D HNCO' . . . 11469 1 5 '3D HNCA' . . . 11469 1 6 '3D HCABGCO' . . . 11469 1 7 '3D HCCH-COSY' . . . 11469 1 8 '3D 15N-separated NOESY-HSQC' . . . 11469 1 9 '3D 13C/15N-separated NOESY-HSQC' . . . 11469 1 10 '4D 13C/13C-separated NOESY-HSQC' . . . 11469 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.880 0.006 10 2 . . . A 105 GLY HA2 . 11469 1 2 . 1 1 1 1 GLY HA3 H 1 3.880 0.006 10 2 . . . A 105 GLY HA3 . 11469 1 3 . 1 1 1 1 GLY C C 13 170.580 . 1 1 . . . A 105 GLY C . 11469 1 4 . 1 1 1 1 GLY CA C 13 43.113 0.064 8 1 . . . A 105 GLY CA . 11469 1 5 . 1 1 2 2 SER HA H 1 4.483 0.003 6 1 . . . A 106 SER HA . 11469 1 6 . 1 1 2 2 SER HB2 H 1 3.886 0.003 5 2 . . . A 106 SER HB2 . 11469 1 7 . 1 1 2 2 SER HB3 H 1 3.847 0.001 2 2 . . . A 106 SER HB3 . 11469 1 8 . 1 1 2 2 SER C C 13 173.995 . 2 1 . . . A 106 SER C . 11469 1 9 . 1 1 2 2 SER CA C 13 58.218 0.069 6 1 . . . A 106 SER CA . 11469 1 10 . 1 1 2 2 SER CB C 13 63.379 0.073 8 1 . . . A 106 SER CB . 11469 1 11 . 1 1 3 3 ASP H H 1 8.536 0.007 11 1 . . . A 107 ASP H . 11469 1 12 . 1 1 3 3 ASP HA H 1 4.622 0.008 18 1 . . . A 107 ASP HA . 11469 1 13 . 1 1 3 3 ASP HB2 H 1 2.657 0.005 9 2 . . . A 107 ASP HB2 . 11469 1 14 . 1 1 3 3 ASP HB3 H 1 2.657 0.005 9 2 . . . A 107 ASP HB3 . 11469 1 15 . 1 1 3 3 ASP C C 13 175.906 0.010 2 1 . . . A 107 ASP C . 11469 1 16 . 1 1 3 3 ASP CA C 13 54.107 0.063 17 1 . . . A 107 ASP CA . 11469 1 17 . 1 1 3 3 ASP CB C 13 40.881 0.040 7 1 . . . A 107 ASP CB . 11469 1 18 . 1 1 3 3 ASP CG C 13 180.051 . 1 1 . . . A 107 ASP CG . 11469 1 19 . 1 1 3 3 ASP N N 15 121.988 0.023 9 1 . . . A 107 ASP N . 11469 1 20 . 1 1 4 4 SER H H 1 8.130 0.004 20 1 . . . A 108 SER H . 11469 1 21 . 1 1 4 4 SER HA H 1 4.337 0.007 16 1 . . . A 108 SER HA . 11469 1 22 . 1 1 4 4 SER HB2 H 1 3.751 0.005 4 2 . . . A 108 SER HB2 . 11469 1 23 . 1 1 4 4 SER HB3 H 1 3.720 0.002 4 2 . . . A 108 SER HB3 . 11469 1 24 . 1 1 4 4 SER C C 13 173.596 0.028 2 1 . . . A 108 SER C . 11469 1 25 . 1 1 4 4 SER CA C 13 58.027 0.073 15 1 . . . A 108 SER CA . 11469 1 26 . 1 1 4 4 SER CB C 13 63.397 0.058 14 1 . . . A 108 SER CB . 11469 1 27 . 1 1 4 4 SER N N 15 115.386 0.066 17 1 . . . A 108 SER N . 11469 1 28 . 1 1 5 5 PHE H H 1 8.199 0.004 24 1 . . . A 109 PHE H . 11469 1 29 . 1 1 5 5 PHE HA H 1 4.430 0.014 20 1 . . . A 109 PHE HA . 11469 1 30 . 1 1 5 5 PHE HB2 H 1 2.966 0.004 3 2 . . . A 109 PHE HB2 . 11469 1 31 . 1 1 5 5 PHE HB3 H 1 2.897 0.003 3 2 . . . A 109 PHE HB3 . 11469 1 32 . 1 1 5 5 PHE HD1 H 1 7.006 0.010 14 3 . . . A 109 PHE HD1 . 11469 1 33 . 1 1 5 5 PHE HD2 H 1 7.006 0.010 14 3 . . . A 109 PHE HD2 . 11469 1 34 . 1 1 5 5 PHE C C 13 174.786 0.010 2 1 . . . A 109 PHE C . 11469 1 35 . 1 1 5 5 PHE CA C 13 57.637 0.049 20 1 . . . A 109 PHE CA . 11469 1 36 . 1 1 5 5 PHE CB C 13 39.147 0.062 21 1 . . . A 109 PHE CB . 11469 1 37 . 1 1 5 5 PHE CD1 C 13 131.431 0.076 12 3 . . . A 109 PHE CD1 . 11469 1 38 . 1 1 5 5 PHE CD2 C 13 131.431 0.076 12 3 . . . A 109 PHE CD2 . 11469 1 39 . 1 1 5 5 PHE N N 15 122.437 0.017 21 1 . . . A 109 PHE N . 11469 1 40 . 1 1 6 6 GLN H H 1 7.956 0.005 46 1 . . . A 110 GLN H . 11469 1 41 . 1 1 6 6 GLN HA H 1 4.538 0.007 39 1 . . . A 110 GLN HA . 11469 1 42 . 1 1 6 6 GLN HB2 H 1 1.815 0.011 30 2 . . . A 110 GLN HB2 . 11469 1 43 . 1 1 6 6 GLN HB3 H 1 2.029 0.007 27 2 . . . A 110 GLN HB3 . 11469 1 44 . 1 1 6 6 GLN HG2 H 1 2.292 0.010 30 2 . . . A 110 GLN HG2 . 11469 1 45 . 1 1 6 6 GLN HG3 H 1 2.292 0.010 30 2 . . . A 110 GLN HG3 . 11469 1 46 . 1 1 6 6 GLN HE21 H 1 6.838 0.002 15 2 . . . A 110 GLN HE21 . 11469 1 47 . 1 1 6 6 GLN HE22 H 1 7.497 0.005 20 2 . . . A 110 GLN HE22 . 11469 1 48 . 1 1 6 6 GLN C C 13 173.179 . 1 1 . . . A 110 GLN C . 11469 1 49 . 1 1 6 6 GLN CA C 13 52.912 0.054 32 1 . . . A 110 GLN CA . 11469 1 50 . 1 1 6 6 GLN CB C 13 28.899 0.096 41 1 . . . A 110 GLN CB . 11469 1 51 . 1 1 6 6 GLN CG C 13 33.067 0.060 27 1 . . . A 110 GLN CG . 11469 1 52 . 1 1 6 6 GLN CD C 13 180.285 . 1 1 . . . A 110 GLN CD . 11469 1 53 . 1 1 6 6 GLN N N 15 124.220 0.039 42 1 . . . A 110 GLN N . 11469 1 54 . 1 1 6 6 GLN NE2 N 15 112.549 0.032 26 1 . . . A 110 GLN NE2 . 11469 1 55 . 1 1 7 7 PRO HA H 1 4.290 0.008 10 1 . . . A 111 PRO HA . 11469 1 56 . 1 1 7 7 PRO HB2 H 1 1.913 . 0 2 . . . A 111 PRO HB2 . 11469 1 57 . 1 1 7 7 PRO HB3 H 1 2.259 0.005 4 2 . . . A 111 PRO HB3 . 11469 1 58 . 1 1 7 7 PRO HG2 H 1 1.985 0.002 4 2 . . . A 111 PRO HG2 . 11469 1 59 . 1 1 7 7 PRO HG3 H 1 1.958 0.004 3 2 . . . A 111 PRO HG3 . 11469 1 60 . 1 1 7 7 PRO HD2 H 1 3.613 0.011 16 2 . . . A 111 PRO HD2 . 11469 1 61 . 1 1 7 7 PRO HD3 H 1 3.613 0.011 16 2 . . . A 111 PRO HD3 . 11469 1 62 . 1 1 7 7 PRO C C 13 176.601 0.016 2 1 . . . A 111 PRO C . 11469 1 63 . 1 1 7 7 PRO CA C 13 63.226 0.102 11 1 . . . A 111 PRO CA . 11469 1 64 . 1 1 7 7 PRO CB C 13 31.787 0.040 4 1 . . . A 111 PRO CB . 11469 1 65 . 1 1 7 7 PRO CG C 13 27.110 0.063 4 1 . . . A 111 PRO CG . 11469 1 66 . 1 1 7 7 PRO CD C 13 50.332 0.056 15 1 . . . A 111 PRO CD . 11469 1 67 . 1 1 8 8 GLU H H 1 8.494 0.003 51 1 . . . A 112 GLU H . 11469 1 68 . 1 1 8 8 GLU HA H 1 4.191 0.011 29 1 . . . A 112 GLU HA . 11469 1 69 . 1 1 8 8 GLU HB2 H 1 1.938 0.004 9 2 . . . A 112 GLU HB2 . 11469 1 70 . 1 1 8 8 GLU HB3 H 1 2.030 0.006 14 2 . . . A 112 GLU HB3 . 11469 1 71 . 1 1 8 8 GLU HG2 H 1 2.240 0.009 19 2 . . . A 112 GLU HG2 . 11469 1 72 . 1 1 8 8 GLU HG3 H 1 2.240 0.009 19 2 . . . A 112 GLU HG3 . 11469 1 73 . 1 1 8 8 GLU C C 13 175.755 0.008 2 1 . . . A 112 GLU C . 11469 1 74 . 1 1 8 8 GLU CA C 13 56.185 0.071 25 1 . . . A 112 GLU CA . 11469 1 75 . 1 1 8 8 GLU CB C 13 29.650 0.083 16 1 . . . A 112 GLU CB . 11469 1 76 . 1 1 8 8 GLU CG C 13 36.075 0.081 14 1 . . . A 112 GLU CG . 11469 1 77 . 1 1 8 8 GLU CD C 13 183.910 . 1 1 . . . A 112 GLU CD . 11469 1 78 . 1 1 8 8 GLU N N 15 119.738 0.022 47 1 . . . A 112 GLU N . 11469 1 79 . 1 1 9 9 ALA H H 1 8.120 0.004 54 1 . . . A 113 ALA H . 11469 1 80 . 1 1 9 9 ALA HA H 1 4.304 0.007 20 1 . . . A 113 ALA HA . 11469 1 81 . 1 1 9 9 ALA HB1 H 1 1.096 0.007 38 1 . . . A 113 ALA HB1 . 11469 1 82 . 1 1 9 9 ALA HB2 H 1 1.096 0.007 38 1 . . . A 113 ALA HB2 . 11469 1 83 . 1 1 9 9 ALA HB3 H 1 1.096 0.007 38 1 . . . A 113 ALA HB3 . 11469 1 84 . 1 1 9 9 ALA C C 13 176.331 0.012 2 1 . . . A 113 ALA C . 11469 1 85 . 1 1 9 9 ALA CA C 13 52.026 0.072 18 1 . . . A 113 ALA CA . 11469 1 86 . 1 1 9 9 ALA CB C 13 18.797 0.083 33 1 . . . A 113 ALA CB . 11469 1 87 . 1 1 9 9 ALA N N 15 125.655 0.037 47 1 . . . A 113 ALA N . 11469 1 88 . 1 1 10 10 LYS H H 1 8.752 0.004 68 1 . . . A 114 LYS H . 11469 1 89 . 1 1 10 10 LYS HA H 1 4.490 0.010 39 1 . . . A 114 LYS HA . 11469 1 90 . 1 1 10 10 LYS HB2 H 1 1.938 0.009 19 2 . . . A 114 LYS HB2 . 11469 1 91 . 1 1 10 10 LYS HB3 H 1 1.849 0.009 18 2 . . . A 114 LYS HB3 . 11469 1 92 . 1 1 10 10 LYS HG2 H 1 1.454 0.005 11 2 . . . A 114 LYS HG2 . 11469 1 93 . 1 1 10 10 LYS HG3 H 1 1.400 0.002 4 2 . . . A 114 LYS HG3 . 11469 1 94 . 1 1 10 10 LYS HD2 H 1 1.725 0.007 33 2 . . . A 114 LYS HD2 . 11469 1 95 . 1 1 10 10 LYS HD3 H 1 1.725 0.007 33 2 . . . A 114 LYS HD3 . 11469 1 96 . 1 1 10 10 LYS HE2 H 1 2.980 0.004 26 2 . . . A 114 LYS HE2 . 11469 1 97 . 1 1 10 10 LYS HE3 H 1 2.980 0.004 26 2 . . . A 114 LYS HE3 . 11469 1 98 . 1 1 10 10 LYS C C 13 174.486 0.006 2 1 . . . A 114 LYS C . 11469 1 99 . 1 1 10 10 LYS CA C 13 55.238 0.055 30 1 . . . A 114 LYS CA . 11469 1 100 . 1 1 10 10 LYS CB C 13 33.400 0.084 34 1 . . . A 114 LYS CB . 11469 1 101 . 1 1 10 10 LYS CG C 13 24.486 0.064 31 1 . . . A 114 LYS CG . 11469 1 102 . 1 1 10 10 LYS CD C 13 28.866 0.099 23 1 . . . A 114 LYS CD . 11469 1 103 . 1 1 10 10 LYS CE C 13 41.693 0.043 18 1 . . . A 114 LYS CE . 11469 1 104 . 1 1 10 10 LYS N N 15 123.049 0.036 57 1 . . . A 114 LYS N . 11469 1 105 . 1 1 11 11 VAL H H 1 8.378 0.006 44 1 . . . A 115 VAL H . 11469 1 106 . 1 1 11 11 VAL HA H 1 4.512 0.008 45 1 . . . A 115 VAL HA . 11469 1 107 . 1 1 11 11 VAL HB H 1 1.882 0.009 34 1 . . . A 115 VAL HB . 11469 1 108 . 1 1 11 11 VAL HG11 H 1 0.614 0.008 57 2 . . . A 115 VAL HG11 . 11469 1 109 . 1 1 11 11 VAL HG12 H 1 0.614 0.008 57 2 . . . A 115 VAL HG12 . 11469 1 110 . 1 1 11 11 VAL HG13 H 1 0.614 0.008 57 2 . . . A 115 VAL HG13 . 11469 1 111 . 1 1 11 11 VAL HG21 H 1 0.699 0.007 48 2 . . . A 115 VAL HG21 . 11469 1 112 . 1 1 11 11 VAL HG22 H 1 0.699 0.007 48 2 . . . A 115 VAL HG22 . 11469 1 113 . 1 1 11 11 VAL HG23 H 1 0.699 0.007 48 2 . . . A 115 VAL HG23 . 11469 1 114 . 1 1 11 11 VAL C C 13 175.514 0.001 2 1 . . . A 115 VAL C . 11469 1 115 . 1 1 11 11 VAL CA C 13 61.221 0.084 39 1 . . . A 115 VAL CA . 11469 1 116 . 1 1 11 11 VAL CB C 13 32.201 0.077 32 1 . . . A 115 VAL CB . 11469 1 117 . 1 1 11 11 VAL CG1 C 13 20.436 0.077 49 2 . . . A 115 VAL CG1 . 11469 1 118 . 1 1 11 11 VAL CG2 C 13 21.557 0.119 39 2 . . . A 115 VAL CG2 . 11469 1 119 . 1 1 11 11 VAL N N 15 125.023 0.052 40 1 . . . A 115 VAL N . 11469 1 120 . 1 1 12 12 ARG H H 1 8.608 0.003 76 1 . . . A 116 ARG H . 11469 1 121 . 1 1 12 12 ARG HA H 1 4.278 0.010 46 1 . . . A 116 ARG HA . 11469 1 122 . 1 1 12 12 ARG HB2 H 1 2.047 0.007 40 2 . . . A 116 ARG HB2 . 11469 1 123 . 1 1 12 12 ARG HB3 H 1 1.500 0.012 54 2 . . . A 116 ARG HB3 . 11469 1 124 . 1 1 12 12 ARG HG2 H 1 1.787 0.013 28 2 . . . A 116 ARG HG2 . 11469 1 125 . 1 1 12 12 ARG HG3 H 1 1.425 0.007 27 2 . . . A 116 ARG HG3 . 11469 1 126 . 1 1 12 12 ARG HD2 H 1 3.258 0.009 35 2 . . . A 116 ARG HD2 . 11469 1 127 . 1 1 12 12 ARG HD3 H 1 3.145 0.006 27 2 . . . A 116 ARG HD3 . 11469 1 128 . 1 1 12 12 ARG HE H 1 7.364 0.006 11 1 . . . A 116 ARG HE . 11469 1 129 . 1 1 12 12 ARG C C 13 172.295 0.021 2 1 . . . A 116 ARG C . 11469 1 130 . 1 1 12 12 ARG CA C 13 56.460 0.095 34 1 . . . A 116 ARG CA . 11469 1 131 . 1 1 12 12 ARG CB C 13 29.661 0.083 79 1 . . . A 116 ARG CB . 11469 1 132 . 1 1 12 12 ARG CG C 13 26.750 0.055 48 1 . . . A 116 ARG CG . 11469 1 133 . 1 1 12 12 ARG CD C 13 42.461 0.121 46 1 . . . A 116 ARG CD . 11469 1 134 . 1 1 12 12 ARG CZ C 13 159.040 0.025 2 1 . . . A 116 ARG CZ . 11469 1 135 . 1 1 12 12 ARG N N 15 130.940 0.041 70 1 . . . A 116 ARG N . 11469 1 136 . 1 1 12 12 ARG NE N 15 84.113 0.064 10 1 . . . A 116 ARG NE . 11469 1 137 . 1 1 13 13 CYS H H 1 8.961 0.004 61 1 . . . A 117 CYS H . 11469 1 138 . 1 1 13 13 CYS HA H 1 4.664 0.011 50 1 . . . A 117 CYS HA . 11469 1 139 . 1 1 13 13 CYS HB2 H 1 2.476 0.005 34 2 . . . A 117 CYS HB2 . 11469 1 140 . 1 1 13 13 CYS HB3 H 1 3.487 0.007 31 2 . . . A 117 CYS HB3 . 11469 1 141 . 1 1 13 13 CYS C C 13 175.421 0.017 2 1 . . . A 117 CYS C . 11469 1 142 . 1 1 13 13 CYS CA C 13 57.687 0.100 45 1 . . . A 117 CYS CA . 11469 1 143 . 1 1 13 13 CYS CB C 13 30.013 0.064 52 1 . . . A 117 CYS CB . 11469 1 144 . 1 1 13 13 CYS N N 15 127.666 0.055 55 1 . . . A 117 CYS N . 11469 1 145 . 1 1 14 14 ILE H H 1 9.354 0.004 56 1 . . . A 118 ILE H . 11469 1 146 . 1 1 14 14 ILE HA H 1 4.406 0.011 41 1 . . . A 118 ILE HA . 11469 1 147 . 1 1 14 14 ILE HB H 1 2.124 0.006 49 1 . . . A 118 ILE HB . 11469 1 148 . 1 1 14 14 ILE HG12 H 1 1.203 0.010 50 2 . . . A 118 ILE HG12 . 11469 1 149 . 1 1 14 14 ILE HG13 H 1 1.446 0.017 45 2 . . . A 118 ILE HG13 . 11469 1 150 . 1 1 14 14 ILE HG21 H 1 1.039 0.010 48 1 . . . A 118 ILE HG21 . 11469 1 151 . 1 1 14 14 ILE HG22 H 1 1.039 0.010 48 1 . . . A 118 ILE HG22 . 11469 1 152 . 1 1 14 14 ILE HG23 H 1 1.039 0.010 48 1 . . . A 118 ILE HG23 . 11469 1 153 . 1 1 14 14 ILE HD11 H 1 0.975 0.011 54 1 . . . A 118 ILE HD11 . 11469 1 154 . 1 1 14 14 ILE HD12 H 1 0.975 0.011 54 1 . . . A 118 ILE HD12 . 11469 1 155 . 1 1 14 14 ILE HD13 H 1 0.975 0.011 54 1 . . . A 118 ILE HD13 . 11469 1 156 . 1 1 14 14 ILE C C 13 176.723 0.018 2 1 . . . A 118 ILE C . 11469 1 157 . 1 1 14 14 ILE CA C 13 62.800 0.097 33 1 . . . A 118 ILE CA . 11469 1 158 . 1 1 14 14 ILE CB C 13 38.113 0.052 42 1 . . . A 118 ILE CB . 11469 1 159 . 1 1 14 14 ILE CG1 C 13 26.821 0.068 79 1 . . . A 118 ILE CG1 . 11469 1 160 . 1 1 14 14 ILE CG2 C 13 18.557 0.076 38 1 . . . A 118 ILE CG2 . 11469 1 161 . 1 1 14 14 ILE CD1 C 13 14.030 0.065 43 1 . . . A 118 ILE CD1 . 11469 1 162 . 1 1 14 14 ILE N N 15 121.912 0.046 49 1 . . . A 118 ILE N . 11469 1 163 . 1 1 15 15 CYS H H 1 7.433 0.004 60 1 . . . A 119 CYS H . 11469 1 164 . 1 1 15 15 CYS HA H 1 4.917 0.006 28 1 . . . A 119 CYS HA . 11469 1 165 . 1 1 15 15 CYS HB2 H 1 3.381 0.008 15 2 . . . A 119 CYS HB2 . 11469 1 166 . 1 1 15 15 CYS HB3 H 1 3.217 0.009 16 2 . . . A 119 CYS HB3 . 11469 1 167 . 1 1 15 15 CYS C C 13 175.196 0.015 2 1 . . . A 119 CYS C . 11469 1 168 . 1 1 15 15 CYS CA C 13 57.267 0.063 27 1 . . . A 119 CYS CA . 11469 1 169 . 1 1 15 15 CYS CB C 13 30.981 0.087 28 1 . . . A 119 CYS CB . 11469 1 170 . 1 1 15 15 CYS N N 15 120.312 0.034 54 1 . . . A 119 CYS N . 11469 1 171 . 1 1 16 16 SER H H 1 8.220 0.004 38 1 . . . A 120 SER H . 11469 1 172 . 1 1 16 16 SER HA H 1 4.453 0.005 24 1 . . . A 120 SER HA . 11469 1 173 . 1 1 16 16 SER HB2 H 1 4.118 0.007 17 2 . . . A 120 SER HB2 . 11469 1 174 . 1 1 16 16 SER HB3 H 1 3.990 0.011 17 2 . . . A 120 SER HB3 . 11469 1 175 . 1 1 16 16 SER C C 13 173.815 0.012 2 1 . . . A 120 SER C . 11469 1 176 . 1 1 16 16 SER CA C 13 58.882 0.052 22 1 . . . A 120 SER CA . 11469 1 177 . 1 1 16 16 SER CB C 13 63.103 0.074 25 1 . . . A 120 SER CB . 11469 1 178 . 1 1 16 16 SER N N 15 112.475 0.043 32 1 . . . A 120 SER N . 11469 1 179 . 1 1 17 17 SER H H 1 8.559 0.004 51 1 . . . A 121 SER H . 11469 1 180 . 1 1 17 17 SER HA H 1 4.893 0.005 31 1 . . . A 121 SER HA . 11469 1 181 . 1 1 17 17 SER HB2 H 1 3.896 0.009 13 2 . . . A 121 SER HB2 . 11469 1 182 . 1 1 17 17 SER HB3 H 1 4.101 0.011 22 2 . . . A 121 SER HB3 . 11469 1 183 . 1 1 17 17 SER C C 13 176.303 0.015 2 1 . . . A 121 SER C . 11469 1 184 . 1 1 17 17 SER CA C 13 56.442 0.095 27 1 . . . A 121 SER CA . 11469 1 185 . 1 1 17 17 SER CB C 13 63.907 0.084 28 1 . . . A 121 SER CB . 11469 1 186 . 1 1 17 17 SER N N 15 118.155 0.048 45 1 . . . A 121 SER N . 11469 1 187 . 1 1 18 18 THR H H 1 8.840 0.006 36 1 . . . A 122 THR H . 11469 1 188 . 1 1 18 18 THR HA H 1 4.441 0.005 37 1 . . . A 122 THR HA . 11469 1 189 . 1 1 18 18 THR HB H 1 4.670 0.006 36 1 . . . A 122 THR HB . 11469 1 190 . 1 1 18 18 THR HG21 H 1 1.229 0.006 40 1 . . . A 122 THR HG21 . 11469 1 191 . 1 1 18 18 THR HG22 H 1 1.229 0.006 40 1 . . . A 122 THR HG22 . 11469 1 192 . 1 1 18 18 THR HG23 H 1 1.229 0.006 40 1 . . . A 122 THR HG23 . 11469 1 193 . 1 1 18 18 THR C C 13 173.128 0.010 2 1 . . . A 122 THR C . 11469 1 194 . 1 1 18 18 THR CA C 13 60.267 0.062 36 1 . . . A 122 THR CA . 11469 1 195 . 1 1 18 18 THR CB C 13 67.841 0.056 34 1 . . . A 122 THR CB . 11469 1 196 . 1 1 18 18 THR CG2 C 13 21.451 0.074 36 1 . . . A 122 THR CG2 . 11469 1 197 . 1 1 18 18 THR N N 15 118.186 0.054 32 1 . . . A 122 THR N . 11469 1 198 . 1 1 19 19 MET H H 1 7.928 0.004 56 1 . . . A 123 MET H . 11469 1 199 . 1 1 19 19 MET HA H 1 4.369 0.007 25 1 . . . A 123 MET HA . 11469 1 200 . 1 1 19 19 MET HB2 H 1 1.914 0.003 5 2 . . . A 123 MET HB2 . 11469 1 201 . 1 1 19 19 MET HB3 H 1 1.880 0.002 4 2 . . . A 123 MET HB3 . 11469 1 202 . 1 1 19 19 MET HG2 H 1 2.551 0.003 4 2 . . . A 123 MET HG2 . 11469 1 203 . 1 1 19 19 MET HG3 H 1 2.509 0.003 4 2 . . . A 123 MET HG3 . 11469 1 204 . 1 1 19 19 MET HE1 H 1 2.032 0.006 12 1 . . . A 123 MET HE1 . 11469 1 205 . 1 1 19 19 MET HE2 H 1 2.032 0.006 12 1 . . . A 123 MET HE2 . 11469 1 206 . 1 1 19 19 MET HE3 H 1 2.032 0.006 12 1 . . . A 123 MET HE3 . 11469 1 207 . 1 1 19 19 MET C C 13 175.681 0.024 2 1 . . . A 123 MET C . 11469 1 208 . 1 1 19 19 MET CA C 13 55.285 0.063 22 1 . . . A 123 MET CA . 11469 1 209 . 1 1 19 19 MET CB C 13 32.984 0.060 17 1 . . . A 123 MET CB . 11469 1 210 . 1 1 19 19 MET CG C 13 31.674 0.077 20 1 . . . A 123 MET CG . 11469 1 211 . 1 1 19 19 MET CE C 13 16.765 0.096 8 1 . . . A 123 MET CE . 11469 1 212 . 1 1 19 19 MET N N 15 120.512 0.029 51 1 . . . A 123 MET N . 11469 1 213 . 1 1 20 20 VAL H H 1 8.484 0.003 40 1 . . . A 124 VAL H . 11469 1 214 . 1 1 20 20 VAL HA H 1 4.086 0.006 40 1 . . . A 124 VAL HA . 11469 1 215 . 1 1 20 20 VAL HB H 1 1.890 0.007 16 1 . . . A 124 VAL HB . 11469 1 216 . 1 1 20 20 VAL HG11 H 1 0.703 0.009 28 2 . . . A 124 VAL HG11 . 11469 1 217 . 1 1 20 20 VAL HG12 H 1 0.703 0.009 28 2 . . . A 124 VAL HG12 . 11469 1 218 . 1 1 20 20 VAL HG13 H 1 0.703 0.009 28 2 . . . A 124 VAL HG13 . 11469 1 219 . 1 1 20 20 VAL HG21 H 1 0.758 0.008 30 2 . . . A 124 VAL HG21 . 11469 1 220 . 1 1 20 20 VAL HG22 H 1 0.758 0.008 30 2 . . . A 124 VAL HG22 . 11469 1 221 . 1 1 20 20 VAL HG23 H 1 0.758 0.008 30 2 . . . A 124 VAL HG23 . 11469 1 222 . 1 1 20 20 VAL C C 13 175.416 0.021 2 1 . . . A 124 VAL C . 11469 1 223 . 1 1 20 20 VAL CA C 13 62.064 0.045 35 1 . . . A 124 VAL CA . 11469 1 224 . 1 1 20 20 VAL CB C 13 31.977 0.066 11 1 . . . A 124 VAL CB . 11469 1 225 . 1 1 20 20 VAL CG1 C 13 21.276 0.065 18 2 . . . A 124 VAL CG1 . 11469 1 226 . 1 1 20 20 VAL CG2 C 13 20.898 0.062 19 2 . . . A 124 VAL CG2 . 11469 1 227 . 1 1 20 20 VAL N N 15 123.485 0.024 34 1 . . . A 124 VAL N . 11469 1 228 . 1 1 21 21 ASN H H 1 7.861 0.005 43 1 . . . A 125 ASN H . 11469 1 229 . 1 1 21 21 ASN HA H 1 4.786 0.004 30 1 . . . A 125 ASN HA . 11469 1 230 . 1 1 21 21 ASN HB2 H 1 3.069 0.007 34 2 . . . A 125 ASN HB2 . 11469 1 231 . 1 1 21 21 ASN HB3 H 1 2.702 0.009 27 2 . . . A 125 ASN HB3 . 11469 1 232 . 1 1 21 21 ASN HD21 H 1 6.488 0.005 37 2 . . . A 125 ASN HD21 . 11469 1 233 . 1 1 21 21 ASN HD22 H 1 7.252 0.004 35 2 . . . A 125 ASN HD22 . 11469 1 234 . 1 1 21 21 ASN C C 13 173.723 0.017 2 1 . . . A 125 ASN C . 11469 1 235 . 1 1 21 21 ASN CA C 13 51.441 0.048 27 1 . . . A 125 ASN CA . 11469 1 236 . 1 1 21 21 ASN CB C 13 39.259 0.063 47 1 . . . A 125 ASN CB . 11469 1 237 . 1 1 21 21 ASN CG C 13 175.613 0.013 2 1 . . . A 125 ASN CG . 11469 1 238 . 1 1 21 21 ASN N N 15 125.095 0.025 40 1 . . . A 125 ASN N . 11469 1 239 . 1 1 21 21 ASN ND2 N 15 109.873 0.028 58 1 . . . A 125 ASN ND2 . 11469 1 240 . 1 1 22 22 ASP H H 1 8.029 0.003 36 1 . . . A 126 ASP H . 11469 1 241 . 1 1 22 22 ASP HA H 1 4.484 0.008 14 1 . . . A 126 ASP HA . 11469 1 242 . 1 1 22 22 ASP HB2 H 1 2.702 0.010 15 2 . . . A 126 ASP HB2 . 11469 1 243 . 1 1 22 22 ASP HB3 H 1 2.702 0.010 15 2 . . . A 126 ASP HB3 . 11469 1 244 . 1 1 22 22 ASP C C 13 176.145 0.017 2 1 . . . A 126 ASP C . 11469 1 245 . 1 1 22 22 ASP CA C 13 54.546 0.050 15 1 . . . A 126 ASP CA . 11469 1 246 . 1 1 22 22 ASP CB C 13 40.944 0.073 12 1 . . . A 126 ASP CB . 11469 1 247 . 1 1 22 22 ASP CG C 13 180.342 . 1 1 . . . A 126 ASP CG . 11469 1 248 . 1 1 22 22 ASP N N 15 115.589 0.020 32 1 . . . A 126 ASP N . 11469 1 249 . 1 1 23 23 SER H H 1 8.419 0.003 56 1 . . . A 127 SER H . 11469 1 250 . 1 1 23 23 SER HA H 1 4.761 0.006 27 1 . . . A 127 SER HA . 11469 1 251 . 1 1 23 23 SER HB2 H 1 3.837 0.008 22 2 . . . A 127 SER HB2 . 11469 1 252 . 1 1 23 23 SER HB3 H 1 3.696 0.007 24 2 . . . A 127 SER HB3 . 11469 1 253 . 1 1 23 23 SER C C 13 172.960 0.001 2 1 . . . A 127 SER C . 11469 1 254 . 1 1 23 23 SER CA C 13 56.657 0.048 27 1 . . . A 127 SER CA . 11469 1 255 . 1 1 23 23 SER CB C 13 63.297 0.070 50 1 . . . A 127 SER CB . 11469 1 256 . 1 1 23 23 SER N N 15 116.749 0.044 46 1 . . . A 127 SER N . 11469 1 257 . 1 1 24 24 MET H H 1 8.649 0.004 52 1 . . . A 128 MET H . 11469 1 258 . 1 1 24 24 MET HA H 1 5.552 0.007 56 1 . . . A 128 MET HA . 11469 1 259 . 1 1 24 24 MET HB2 H 1 2.052 0.010 38 2 . . . A 128 MET HB2 . 11469 1 260 . 1 1 24 24 MET HB3 H 1 2.307 0.009 37 2 . . . A 128 MET HB3 . 11469 1 261 . 1 1 24 24 MET HG2 H 1 2.559 0.004 2 2 . . . A 128 MET HG2 . 11469 1 262 . 1 1 24 24 MET HG3 H 1 2.505 0.008 3 2 . . . A 128 MET HG3 . 11469 1 263 . 1 1 24 24 MET HE1 H 1 1.610 0.008 72 1 . . . A 128 MET HE1 . 11469 1 264 . 1 1 24 24 MET HE2 H 1 1.610 0.008 72 1 . . . A 128 MET HE2 . 11469 1 265 . 1 1 24 24 MET HE3 H 1 1.610 0.008 72 1 . . . A 128 MET HE3 . 11469 1 266 . 1 1 24 24 MET C C 13 174.374 0.008 2 1 . . . A 128 MET C . 11469 1 267 . 1 1 24 24 MET CA C 13 52.933 0.068 48 1 . . . A 128 MET CA . 11469 1 268 . 1 1 24 24 MET CB C 13 35.781 0.076 59 1 . . . A 128 MET CB . 11469 1 269 . 1 1 24 24 MET CG C 13 32.006 0.093 40 1 . . . A 128 MET CG . 11469 1 270 . 1 1 24 24 MET CE C 13 15.920 0.106 73 1 . . . A 128 MET CE . 11469 1 271 . 1 1 24 24 MET N N 15 123.217 0.029 48 1 . . . A 128 MET N . 11469 1 272 . 1 1 25 25 ILE H H 1 9.365 0.005 71 1 . . . A 129 ILE H . 11469 1 273 . 1 1 25 25 ILE HA H 1 4.567 0.006 60 1 . . . A 129 ILE HA . 11469 1 274 . 1 1 25 25 ILE HB H 1 1.275 0.010 50 1 . . . A 129 ILE HB . 11469 1 275 . 1 1 25 25 ILE HG12 H 1 0.410 0.008 56 2 . . . A 129 ILE HG12 . 11469 1 276 . 1 1 25 25 ILE HG13 H 1 1.236 0.009 49 2 . . . A 129 ILE HG13 . 11469 1 277 . 1 1 25 25 ILE HG21 H 1 0.356 0.008 78 1 . . . A 129 ILE HG21 . 11469 1 278 . 1 1 25 25 ILE HG22 H 1 0.356 0.008 78 1 . . . A 129 ILE HG22 . 11469 1 279 . 1 1 25 25 ILE HG23 H 1 0.356 0.008 78 1 . . . A 129 ILE HG23 . 11469 1 280 . 1 1 25 25 ILE HD11 H 1 -0.002 0.010 76 1 . . . A 129 ILE HD11 . 11469 1 281 . 1 1 25 25 ILE HD12 H 1 -0.002 0.010 76 1 . . . A 129 ILE HD12 . 11469 1 282 . 1 1 25 25 ILE HD13 H 1 -0.002 0.010 76 1 . . . A 129 ILE HD13 . 11469 1 283 . 1 1 25 25 ILE C C 13 170.382 0.001 2 1 . . . A 129 ILE C . 11469 1 284 . 1 1 25 25 ILE CA C 13 59.876 0.068 51 1 . . . A 129 ILE CA . 11469 1 285 . 1 1 25 25 ILE CB C 13 42.107 0.076 42 1 . . . A 129 ILE CB . 11469 1 286 . 1 1 25 25 ILE CG1 C 13 28.217 0.057 78 1 . . . A 129 ILE CG1 . 11469 1 287 . 1 1 25 25 ILE CG2 C 13 14.190 0.114 69 1 . . . A 129 ILE CG2 . 11469 1 288 . 1 1 25 25 ILE CD1 C 13 13.706 0.066 62 1 . . . A 129 ILE CD1 . 11469 1 289 . 1 1 25 25 ILE N N 15 121.039 0.037 64 1 . . . A 129 ILE N . 11469 1 290 . 1 1 26 26 GLN H H 1 7.729 0.003 58 1 . . . A 130 GLN H . 11469 1 291 . 1 1 26 26 GLN HA H 1 4.389 0.009 49 1 . . . A 130 GLN HA . 11469 1 292 . 1 1 26 26 GLN HB2 H 1 -0.969 0.012 42 2 . . . A 130 GLN HB2 . 11469 1 293 . 1 1 26 26 GLN HB3 H 1 1.025 0.011 36 2 . . . A 130 GLN HB3 . 11469 1 294 . 1 1 26 26 GLN HG2 H 1 1.705 0.011 38 2 . . . A 130 GLN HG2 . 11469 1 295 . 1 1 26 26 GLN HG3 H 1 0.544 0.010 41 2 . . . A 130 GLN HG3 . 11469 1 296 . 1 1 26 26 GLN HE21 H 1 6.681 0.004 45 2 . . . A 130 GLN HE21 . 11469 1 297 . 1 1 26 26 GLN HE22 H 1 7.112 0.003 49 2 . . . A 130 GLN HE22 . 11469 1 298 . 1 1 26 26 GLN C C 13 174.767 0.003 2 1 . . . A 130 GLN C . 11469 1 299 . 1 1 26 26 GLN CA C 13 52.904 0.048 43 1 . . . A 130 GLN CA . 11469 1 300 . 1 1 26 26 GLN CB C 13 29.063 0.062 65 1 . . . A 130 GLN CB . 11469 1 301 . 1 1 26 26 GLN CG C 13 32.364 0.108 64 1 . . . A 130 GLN CG . 11469 1 302 . 1 1 26 26 GLN CD C 13 179.861 0.001 2 1 . . . A 130 GLN CD . 11469 1 303 . 1 1 26 26 GLN N N 15 128.364 0.021 54 1 . . . A 130 GLN N . 11469 1 304 . 1 1 26 26 GLN NE2 N 15 110.947 0.049 75 1 . . . A 130 GLN NE2 . 11469 1 305 . 1 1 27 27 CYS H H 1 9.069 0.004 70 1 . . . A 131 CYS H . 11469 1 306 . 1 1 27 27 CYS HA H 1 4.153 0.009 34 1 . . . A 131 CYS HA . 11469 1 307 . 1 1 27 27 CYS HB2 H 1 2.724 0.010 32 2 . . . A 131 CYS HB2 . 11469 1 308 . 1 1 27 27 CYS HB3 H 1 3.114 0.008 33 2 . . . A 131 CYS HB3 . 11469 1 309 . 1 1 27 27 CYS C C 13 176.207 0.003 2 1 . . . A 131 CYS C . 11469 1 310 . 1 1 27 27 CYS CA C 13 60.929 0.058 33 1 . . . A 131 CYS CA . 11469 1 311 . 1 1 27 27 CYS CB C 13 30.767 0.058 54 1 . . . A 131 CYS CB . 11469 1 312 . 1 1 27 27 CYS N N 15 128.200 0.032 62 1 . . . A 131 CYS N . 11469 1 313 . 1 1 28 28 GLU H H 1 8.683 0.003 67 1 . . . A 132 GLU H . 11469 1 314 . 1 1 28 28 GLU HA H 1 3.974 0.008 40 1 . . . A 132 GLU HA . 11469 1 315 . 1 1 28 28 GLU HB2 H 1 1.434 0.007 55 2 . . . A 132 GLU HB2 . 11469 1 316 . 1 1 28 28 GLU HB3 H 1 1.997 0.008 40 2 . . . A 132 GLU HB3 . 11469 1 317 . 1 1 28 28 GLU HG2 H 1 2.584 0.008 56 2 . . . A 132 GLU HG2 . 11469 1 318 . 1 1 28 28 GLU HG3 H 1 2.154 0.007 49 2 . . . A 132 GLU HG3 . 11469 1 319 . 1 1 28 28 GLU C C 13 177.139 . 2 1 . . . A 132 GLU C . 11469 1 320 . 1 1 28 28 GLU CA C 13 57.340 0.083 33 1 . . . A 132 GLU CA . 11469 1 321 . 1 1 28 28 GLU CB C 13 28.874 0.101 72 1 . . . A 132 GLU CB . 11469 1 322 . 1 1 28 28 GLU CG C 13 37.610 0.077 81 1 . . . A 132 GLU CG . 11469 1 323 . 1 1 28 28 GLU CD C 13 183.947 0.002 2 1 . . . A 132 GLU CD . 11469 1 324 . 1 1 28 28 GLU N N 15 127.265 0.046 61 1 . . . A 132 GLU N . 11469 1 325 . 1 1 29 29 ASP H H 1 8.760 0.004 73 1 . . . A 133 ASP H . 11469 1 326 . 1 1 29 29 ASP HA H 1 4.684 0.007 39 1 . . . A 133 ASP HA . 11469 1 327 . 1 1 29 29 ASP HB2 H 1 2.490 0.012 38 2 . . . A 133 ASP HB2 . 11469 1 328 . 1 1 29 29 ASP HB3 H 1 3.764 0.014 37 2 . . . A 133 ASP HB3 . 11469 1 329 . 1 1 29 29 ASP C C 13 178.555 0.004 2 1 . . . A 133 ASP C . 11469 1 330 . 1 1 29 29 ASP CA C 13 55.372 0.073 36 1 . . . A 133 ASP CA . 11469 1 331 . 1 1 29 29 ASP CB C 13 43.453 0.081 68 1 . . . A 133 ASP CB . 11469 1 332 . 1 1 29 29 ASP CG C 13 180.460 0.013 2 1 . . . A 133 ASP CG . 11469 1 333 . 1 1 29 29 ASP N N 15 124.214 0.037 67 1 . . . A 133 ASP N . 11469 1 334 . 1 1 30 30 GLN H H 1 9.127 0.004 38 1 . . . A 134 GLN H . 11469 1 335 . 1 1 30 30 GLN HA H 1 3.946 0.010 49 1 . . . A 134 GLN HA . 11469 1 336 . 1 1 30 30 GLN HB2 H 1 2.178 0.006 25 2 . . . A 134 GLN HB2 . 11469 1 337 . 1 1 30 30 GLN HB3 H 1 2.060 0.006 25 2 . . . A 134 GLN HB3 . 11469 1 338 . 1 1 30 30 GLN HG2 H 1 2.462 0.009 41 2 . . . A 134 GLN HG2 . 11469 1 339 . 1 1 30 30 GLN HG3 H 1 2.462 0.009 41 2 . . . A 134 GLN HG3 . 11469 1 340 . 1 1 30 30 GLN HE21 H 1 6.865 0.004 15 2 . . . A 134 GLN HE21 . 11469 1 341 . 1 1 30 30 GLN HE22 H 1 7.549 0.001 15 2 . . . A 134 GLN HE22 . 11469 1 342 . 1 1 30 30 GLN C C 13 176.490 0.006 2 1 . . . A 134 GLN C . 11469 1 343 . 1 1 30 30 GLN CA C 13 58.057 0.090 41 1 . . . A 134 GLN CA . 11469 1 344 . 1 1 30 30 GLN CB C 13 28.296 0.070 40 1 . . . A 134 GLN CB . 11469 1 345 . 1 1 30 30 GLN CG C 13 33.932 0.053 29 1 . . . A 134 GLN CG . 11469 1 346 . 1 1 30 30 GLN CD C 13 179.824 . 1 1 . . . A 134 GLN CD . 11469 1 347 . 1 1 30 30 GLN N N 15 128.037 0.024 33 1 . . . A 134 GLN N . 11469 1 348 . 1 1 30 30 GLN NE2 N 15 112.957 0.037 22 1 . . . A 134 GLN NE2 . 11469 1 349 . 1 1 31 31 ARG H H 1 8.845 0.003 59 1 . . . A 135 ARG H . 11469 1 350 . 1 1 31 31 ARG HA H 1 4.222 0.005 31 1 . . . A 135 ARG HA . 11469 1 351 . 1 1 31 31 ARG HB2 H 1 1.724 0.011 22 2 . . . A 135 ARG HB2 . 11469 1 352 . 1 1 31 31 ARG HB3 H 1 1.900 0.010 18 2 . . . A 135 ARG HB3 . 11469 1 353 . 1 1 31 31 ARG HG2 H 1 1.646 0.018 20 2 . . . A 135 ARG HG2 . 11469 1 354 . 1 1 31 31 ARG HG3 H 1 1.646 0.018 20 2 . . . A 135 ARG HG3 . 11469 1 355 . 1 1 31 31 ARG HD2 H 1 3.205 0.009 14 2 . . . A 135 ARG HD2 . 11469 1 356 . 1 1 31 31 ARG HD3 H 1 3.104 0.016 13 2 . . . A 135 ARG HD3 . 11469 1 357 . 1 1 31 31 ARG C C 13 175.089 0.014 2 1 . . . A 135 ARG C . 11469 1 358 . 1 1 31 31 ARG CA C 13 56.305 0.075 20 1 . . . A 135 ARG CA . 11469 1 359 . 1 1 31 31 ARG CB C 13 29.615 0.068 29 1 . . . A 135 ARG CB . 11469 1 360 . 1 1 31 31 ARG CG C 13 26.758 0.072 20 1 . . . A 135 ARG CG . 11469 1 361 . 1 1 31 31 ARG CD C 13 42.998 0.046 11 1 . . . A 135 ARG CD . 11469 1 362 . 1 1 31 31 ARG N N 15 118.118 0.037 54 1 . . . A 135 ARG N . 11469 1 363 . 1 1 32 32 CYS H H 1 8.039 0.004 58 1 . . . A 136 CYS H . 11469 1 364 . 1 1 32 32 CYS HA H 1 4.341 0.007 30 1 . . . A 136 CYS HA . 11469 1 365 . 1 1 32 32 CYS HB2 H 1 2.578 0.006 22 2 . . . A 136 CYS HB2 . 11469 1 366 . 1 1 32 32 CYS HB3 H 1 3.043 0.011 32 2 . . . A 136 CYS HB3 . 11469 1 367 . 1 1 32 32 CYS C C 13 174.518 0.004 2 1 . . . A 136 CYS C . 11469 1 368 . 1 1 32 32 CYS CA C 13 60.521 0.081 28 1 . . . A 136 CYS CA . 11469 1 369 . 1 1 32 32 CYS CB C 13 32.893 0.081 47 1 . . . A 136 CYS CB . 11469 1 370 . 1 1 32 32 CYS N N 15 123.996 0.045 49 1 . . . A 136 CYS N . 11469 1 371 . 1 1 33 33 GLN H H 1 7.424 0.002 68 1 . . . A 137 GLN H . 11469 1 372 . 1 1 33 33 GLN HA H 1 4.304 0.008 41 1 . . . A 137 GLN HA . 11469 1 373 . 1 1 33 33 GLN HB2 H 1 2.219 0.009 20 2 . . . A 137 GLN HB2 . 11469 1 374 . 1 1 33 33 GLN HB3 H 1 2.219 0.009 20 2 . . . A 137 GLN HB3 . 11469 1 375 . 1 1 33 33 GLN HG2 H 1 2.243 0.007 26 2 . . . A 137 GLN HG2 . 11469 1 376 . 1 1 33 33 GLN HG3 H 1 2.086 0.007 32 2 . . . A 137 GLN HG3 . 11469 1 377 . 1 1 33 33 GLN HE21 H 1 6.812 0.004 27 2 . . . A 137 GLN HE21 . 11469 1 378 . 1 1 33 33 GLN HE22 H 1 7.471 0.004 38 2 . . . A 137 GLN HE22 . 11469 1 379 . 1 1 33 33 GLN C C 13 175.392 0.006 2 1 . . . A 137 GLN C . 11469 1 380 . 1 1 33 33 GLN CA C 13 56.880 0.086 35 1 . . . A 137 GLN CA . 11469 1 381 . 1 1 33 33 GLN CB C 13 27.100 0.106 28 1 . . . A 137 GLN CB . 11469 1 382 . 1 1 33 33 GLN CG C 13 34.307 0.081 46 1 . . . A 137 GLN CG . 11469 1 383 . 1 1 33 33 GLN CD C 13 180.709 . 2 1 . . . A 137 GLN CD . 11469 1 384 . 1 1 33 33 GLN N N 15 106.575 0.025 58 1 . . . A 137 GLN N . 11469 1 385 . 1 1 33 33 GLN NE2 N 15 112.905 0.051 50 1 . . . A 137 GLN NE2 . 11469 1 386 . 1 1 34 34 VAL H H 1 8.190 0.004 61 1 . . . A 138 VAL H . 11469 1 387 . 1 1 34 34 VAL HA H 1 4.528 0.009 45 1 . . . A 138 VAL HA . 11469 1 388 . 1 1 34 34 VAL HB H 1 2.308 0.006 32 1 . . . A 138 VAL HB . 11469 1 389 . 1 1 34 34 VAL HG11 H 1 1.193 0.008 61 2 . . . A 138 VAL HG11 . 11469 1 390 . 1 1 34 34 VAL HG12 H 1 1.193 0.008 61 2 . . . A 138 VAL HG12 . 11469 1 391 . 1 1 34 34 VAL HG13 H 1 1.193 0.008 61 2 . . . A 138 VAL HG13 . 11469 1 392 . 1 1 34 34 VAL HG21 H 1 1.093 0.010 65 2 . . . A 138 VAL HG21 . 11469 1 393 . 1 1 34 34 VAL HG22 H 1 1.093 0.010 65 2 . . . A 138 VAL HG22 . 11469 1 394 . 1 1 34 34 VAL HG23 H 1 1.093 0.010 65 2 . . . A 138 VAL HG23 . 11469 1 395 . 1 1 34 34 VAL C C 13 174.127 0.007 2 1 . . . A 138 VAL C . 11469 1 396 . 1 1 34 34 VAL CA C 13 62.915 0.072 45 1 . . . A 138 VAL CA . 11469 1 397 . 1 1 34 34 VAL CB C 13 32.986 0.077 26 1 . . . A 138 VAL CB . 11469 1 398 . 1 1 34 34 VAL CG1 C 13 21.883 0.092 55 2 . . . A 138 VAL CG1 . 11469 1 399 . 1 1 34 34 VAL CG2 C 13 18.586 0.110 60 2 . . . A 138 VAL CG2 . 11469 1 400 . 1 1 34 34 VAL N N 15 117.359 0.045 53 1 . . . A 138 VAL N . 11469 1 401 . 1 1 35 35 TRP H H 1 8.832 0.004 64 1 . . . A 139 TRP H . 11469 1 402 . 1 1 35 35 TRP HA H 1 5.108 0.009 38 1 . . . A 139 TRP HA . 11469 1 403 . 1 1 35 35 TRP HB2 H 1 2.881 0.010 8 2 . . . A 139 TRP HB2 . 11469 1 404 . 1 1 35 35 TRP HB3 H 1 2.942 0.006 5 2 . . . A 139 TRP HB3 . 11469 1 405 . 1 1 35 35 TRP HD1 H 1 7.350 0.010 26 1 . . . A 139 TRP HD1 . 11469 1 406 . 1 1 35 35 TRP HE1 H 1 10.201 0.004 53 1 . . . A 139 TRP HE1 . 11469 1 407 . 1 1 35 35 TRP HE3 H 1 7.239 0.011 43 1 . . . A 139 TRP HE3 . 11469 1 408 . 1 1 35 35 TRP HZ2 H 1 7.307 0.007 12 1 . . . A 139 TRP HZ2 . 11469 1 409 . 1 1 35 35 TRP HZ3 H 1 6.862 0.010 19 1 . . . A 139 TRP HZ3 . 11469 1 410 . 1 1 35 35 TRP HH2 H 1 7.105 0.009 16 1 . . . A 139 TRP HH2 . 11469 1 411 . 1 1 35 35 TRP C C 13 175.324 . 2 1 . . . A 139 TRP C . 11469 1 412 . 1 1 35 35 TRP CA C 13 55.922 0.069 37 1 . . . A 139 TRP CA . 11469 1 413 . 1 1 35 35 TRP CB C 13 31.023 0.091 36 1 . . . A 139 TRP CB . 11469 1 414 . 1 1 35 35 TRP CD1 C 13 127.420 0.050 22 1 . . . A 139 TRP CD1 . 11469 1 415 . 1 1 35 35 TRP CE3 C 13 119.677 0.113 35 1 . . . A 139 TRP CE3 . 11469 1 416 . 1 1 35 35 TRP CZ2 C 13 114.980 0.051 14 1 . . . A 139 TRP CZ2 . 11469 1 417 . 1 1 35 35 TRP CZ3 C 13 121.394 0.063 19 1 . . . A 139 TRP CZ3 . 11469 1 418 . 1 1 35 35 TRP CH2 C 13 124.442 0.065 17 1 . . . A 139 TRP CH2 . 11469 1 419 . 1 1 35 35 TRP N N 15 119.308 0.047 57 1 . . . A 139 TRP N . 11469 1 420 . 1 1 35 35 TRP NE1 N 15 130.288 0.067 43 1 . . . A 139 TRP NE1 . 11469 1 421 . 1 1 36 36 GLN H H 1 9.411 0.003 62 1 . . . A 140 GLN H . 11469 1 422 . 1 1 36 36 GLN HA H 1 4.430 0.007 64 1 . . . A 140 GLN HA . 11469 1 423 . 1 1 36 36 GLN HB2 H 1 1.833 0.007 33 2 . . . A 140 GLN HB2 . 11469 1 424 . 1 1 36 36 GLN HB3 H 1 2.578 0.008 28 2 . . . A 140 GLN HB3 . 11469 1 425 . 1 1 36 36 GLN HG2 H 1 2.423 0.007 25 2 . . . A 140 GLN HG2 . 11469 1 426 . 1 1 36 36 GLN HG3 H 1 2.166 0.009 33 2 . . . A 140 GLN HG3 . 11469 1 427 . 1 1 36 36 GLN HE21 H 1 7.625 0.004 44 2 . . . A 140 GLN HE21 . 11469 1 428 . 1 1 36 36 GLN HE22 H 1 8.175 0.003 43 2 . . . A 140 GLN HE22 . 11469 1 429 . 1 1 36 36 GLN C C 13 174.596 0.004 2 1 . . . A 140 GLN C . 11469 1 430 . 1 1 36 36 GLN CA C 13 53.833 0.050 55 1 . . . A 140 GLN CA . 11469 1 431 . 1 1 36 36 GLN CB C 13 32.349 0.099 56 1 . . . A 140 GLN CB . 11469 1 432 . 1 1 36 36 GLN CG C 13 34.081 0.079 50 1 . . . A 140 GLN CG . 11469 1 433 . 1 1 36 36 GLN CD C 13 178.808 0.004 2 1 . . . A 140 GLN CD . 11469 1 434 . 1 1 36 36 GLN N N 15 116.867 0.022 57 1 . . . A 140 GLN N . 11469 1 435 . 1 1 36 36 GLN NE2 N 15 111.173 0.053 74 1 . . . A 140 GLN NE2 . 11469 1 436 . 1 1 37 37 HIS H H 1 9.051 0.002 54 1 . . . A 141 HIS H . 11469 1 437 . 1 1 37 37 HIS HA H 1 5.000 0.007 51 1 . . . A 141 HIS HA . 11469 1 438 . 1 1 37 37 HIS HB2 H 1 4.144 0.008 35 2 . . . A 141 HIS HB2 . 11469 1 439 . 1 1 37 37 HIS HB3 H 1 3.649 0.010 33 2 . . . A 141 HIS HB3 . 11469 1 440 . 1 1 37 37 HIS HD2 H 1 7.058 0.011 33 1 . . . A 141 HIS HD2 . 11469 1 441 . 1 1 37 37 HIS HE1 H 1 7.715 0.012 13 1 . . . A 141 HIS HE1 . 11469 1 442 . 1 1 37 37 HIS C C 13 177.062 0.017 2 1 . . . A 141 HIS C . 11469 1 443 . 1 1 37 37 HIS CA C 13 57.074 0.046 46 1 . . . A 141 HIS CA . 11469 1 444 . 1 1 37 37 HIS CB C 13 30.119 0.088 57 1 . . . A 141 HIS CB . 11469 1 445 . 1 1 37 37 HIS CD2 C 13 117.651 0.092 26 1 . . . A 141 HIS CD2 . 11469 1 446 . 1 1 37 37 HIS CE1 C 13 137.537 0.066 15 1 . . . A 141 HIS CE1 . 11469 1 447 . 1 1 37 37 HIS N N 15 122.412 0.022 51 1 . . . A 141 HIS N . 11469 1 448 . 1 1 38 38 LEU H H 1 8.982 0.004 61 1 . . . A 142 LEU H . 11469 1 449 . 1 1 38 38 LEU HA H 1 3.755 0.006 59 1 . . . A 142 LEU HA . 11469 1 450 . 1 1 38 38 LEU HB2 H 1 1.303 0.008 43 2 . . . A 142 LEU HB2 . 11469 1 451 . 1 1 38 38 LEU HB3 H 1 1.557 0.019 50 2 . . . A 142 LEU HB3 . 11469 1 452 . 1 1 38 38 LEU HG H 1 1.373 0.011 49 1 . . . A 142 LEU HG . 11469 1 453 . 1 1 38 38 LEU HD11 H 1 0.770 0.002 11 2 . . . A 142 LEU HD11 . 11469 1 454 . 1 1 38 38 LEU HD12 H 1 0.770 0.002 11 2 . . . A 142 LEU HD12 . 11469 1 455 . 1 1 38 38 LEU HD13 H 1 0.770 0.002 11 2 . . . A 142 LEU HD13 . 11469 1 456 . 1 1 38 38 LEU HD21 H 1 0.754 0.004 11 2 . . . A 142 LEU HD21 . 11469 1 457 . 1 1 38 38 LEU HD22 H 1 0.754 0.004 11 2 . . . A 142 LEU HD22 . 11469 1 458 . 1 1 38 38 LEU HD23 H 1 0.754 0.004 11 2 . . . A 142 LEU HD23 . 11469 1 459 . 1 1 38 38 LEU C C 13 177.484 0.020 2 1 . . . A 142 LEU C . 11469 1 460 . 1 1 38 38 LEU CA C 13 59.020 0.083 53 1 . . . A 142 LEU CA . 11469 1 461 . 1 1 38 38 LEU CB C 13 42.193 0.069 74 1 . . . A 142 LEU CB . 11469 1 462 . 1 1 38 38 LEU CG C 13 27.103 0.087 42 1 . . . A 142 LEU CG . 11469 1 463 . 1 1 38 38 LEU CD1 C 13 24.869 . 1 2 . . . A 142 LEU CD1 . 11469 1 464 . 1 1 38 38 LEU CD2 C 13 24.900 . 1 2 . . . A 142 LEU CD2 . 11469 1 465 . 1 1 38 38 LEU N N 15 128.750 0.034 53 1 . . . A 142 LEU N . 11469 1 466 . 1 1 39 39 ASN H H 1 9.002 0.003 79 1 . . . A 143 ASN H . 11469 1 467 . 1 1 39 39 ASN HA H 1 4.533 0.008 19 1 . . . A 143 ASN HA . 11469 1 468 . 1 1 39 39 ASN HB2 H 1 2.838 0.004 10 2 . . . A 143 ASN HB2 . 11469 1 469 . 1 1 39 39 ASN HB3 H 1 2.788 0.005 8 2 . . . A 143 ASN HB3 . 11469 1 470 . 1 1 39 39 ASN HD21 H 1 6.948 0.005 28 2 . . . A 143 ASN HD21 . 11469 1 471 . 1 1 39 39 ASN HD22 H 1 7.778 0.003 21 2 . . . A 143 ASN HD22 . 11469 1 472 . 1 1 39 39 ASN C C 13 176.409 0.019 2 1 . . . A 143 ASN C . 11469 1 473 . 1 1 39 39 ASN CA C 13 54.846 0.061 21 1 . . . A 143 ASN CA . 11469 1 474 . 1 1 39 39 ASN CB C 13 37.773 0.044 27 1 . . . A 143 ASN CB . 11469 1 475 . 1 1 39 39 ASN CG C 13 176.690 0.011 2 1 . . . A 143 ASN CG . 11469 1 476 . 1 1 39 39 ASN N N 15 111.295 0.039 68 1 . . . A 143 ASN N . 11469 1 477 . 1 1 39 39 ASN ND2 N 15 112.925 0.036 33 1 . . . A 143 ASN ND2 . 11469 1 478 . 1 1 40 40 CYS H H 1 7.461 0.004 74 1 . . . A 144 CYS H . 11469 1 479 . 1 1 40 40 CYS HA H 1 4.262 0.006 31 1 . . . A 144 CYS HA . 11469 1 480 . 1 1 40 40 CYS HB2 H 1 3.203 0.017 30 2 . . . A 144 CYS HB2 . 11469 1 481 . 1 1 40 40 CYS HB3 H 1 2.984 0.013 40 2 . . . A 144 CYS HB3 . 11469 1 482 . 1 1 40 40 CYS C C 13 176.786 0.022 2 1 . . . A 144 CYS C . 11469 1 483 . 1 1 40 40 CYS CA C 13 62.055 0.072 28 1 . . . A 144 CYS CA . 11469 1 484 . 1 1 40 40 CYS CB C 13 31.141 0.099 57 1 . . . A 144 CYS CB . 11469 1 485 . 1 1 40 40 CYS N N 15 115.660 0.027 62 1 . . . A 144 CYS N . 11469 1 486 . 1 1 41 41 VAL H H 1 7.065 0.003 69 1 . . . A 145 VAL H . 11469 1 487 . 1 1 41 41 VAL HA H 1 4.446 0.008 36 1 . . . A 145 VAL HA . 11469 1 488 . 1 1 41 41 VAL HB H 1 2.488 0.005 33 1 . . . A 145 VAL HB . 11469 1 489 . 1 1 41 41 VAL HG11 H 1 1.111 0.006 61 2 . . . A 145 VAL HG11 . 11469 1 490 . 1 1 41 41 VAL HG12 H 1 1.111 0.006 61 2 . . . A 145 VAL HG12 . 11469 1 491 . 1 1 41 41 VAL HG13 H 1 1.111 0.006 61 2 . . . A 145 VAL HG13 . 11469 1 492 . 1 1 41 41 VAL HG21 H 1 0.838 0.009 58 2 . . . A 145 VAL HG21 . 11469 1 493 . 1 1 41 41 VAL HG22 H 1 0.838 0.009 58 2 . . . A 145 VAL HG22 . 11469 1 494 . 1 1 41 41 VAL HG23 H 1 0.838 0.009 58 2 . . . A 145 VAL HG23 . 11469 1 495 . 1 1 41 41 VAL C C 13 175.639 0.012 2 1 . . . A 145 VAL C . 11469 1 496 . 1 1 41 41 VAL CA C 13 62.249 0.082 32 1 . . . A 145 VAL CA . 11469 1 497 . 1 1 41 41 VAL CB C 13 33.131 0.053 24 1 . . . A 145 VAL CB . 11469 1 498 . 1 1 41 41 VAL CG1 C 13 22.106 0.094 54 2 . . . A 145 VAL CG1 . 11469 1 499 . 1 1 41 41 VAL CG2 C 13 18.032 0.097 51 2 . . . A 145 VAL CG2 . 11469 1 500 . 1 1 41 41 VAL N N 15 107.885 0.037 60 1 . . . A 145 VAL N . 11469 1 501 . 1 1 42 42 LEU H H 1 8.043 0.004 66 1 . . . A 146 LEU H . 11469 1 502 . 1 1 42 42 LEU HA H 1 4.667 0.009 55 1 . . . A 146 LEU HA . 11469 1 503 . 1 1 42 42 LEU HB2 H 1 1.409 0.014 50 2 . . . A 146 LEU HB2 . 11469 1 504 . 1 1 42 42 LEU HB3 H 1 1.606 0.009 38 2 . . . A 146 LEU HB3 . 11469 1 505 . 1 1 42 42 LEU HG H 1 1.558 0.009 39 1 . . . A 146 LEU HG . 11469 1 506 . 1 1 42 42 LEU HD11 H 1 0.829 0.016 63 2 . . . A 146 LEU HD11 . 11469 1 507 . 1 1 42 42 LEU HD12 H 1 0.829 0.016 63 2 . . . A 146 LEU HD12 . 11469 1 508 . 1 1 42 42 LEU HD13 H 1 0.829 0.016 63 2 . . . A 146 LEU HD13 . 11469 1 509 . 1 1 42 42 LEU HD21 H 1 0.892 0.006 57 2 . . . A 146 LEU HD21 . 11469 1 510 . 1 1 42 42 LEU HD22 H 1 0.892 0.006 57 2 . . . A 146 LEU HD22 . 11469 1 511 . 1 1 42 42 LEU HD23 H 1 0.892 0.006 57 2 . . . A 146 LEU HD23 . 11469 1 512 . 1 1 42 42 LEU C C 13 174.719 0.015 2 1 . . . A 146 LEU C . 11469 1 513 . 1 1 42 42 LEU CA C 13 53.832 0.063 43 1 . . . A 146 LEU CA . 11469 1 514 . 1 1 42 42 LEU CB C 13 41.786 0.081 65 1 . . . A 146 LEU CB . 11469 1 515 . 1 1 42 42 LEU CG C 13 26.797 0.077 34 1 . . . A 146 LEU CG . 11469 1 516 . 1 1 42 42 LEU CD1 C 13 25.687 0.147 51 2 . . . A 146 LEU CD1 . 11469 1 517 . 1 1 42 42 LEU CD2 C 13 23.594 0.099 50 2 . . . A 146 LEU CD2 . 11469 1 518 . 1 1 42 42 LEU N N 15 124.392 0.068 58 1 . . . A 146 LEU N . 11469 1 519 . 1 1 43 43 ILE H H 1 8.203 0.006 61 1 . . . A 147 ILE H . 11469 1 520 . 1 1 43 43 ILE HA H 1 4.476 0.011 54 1 . . . A 147 ILE HA . 11469 1 521 . 1 1 43 43 ILE HB H 1 1.828 0.005 54 1 . . . A 147 ILE HB . 11469 1 522 . 1 1 43 43 ILE HG12 H 1 1.423 0.011 43 2 . . . A 147 ILE HG12 . 11469 1 523 . 1 1 43 43 ILE HG13 H 1 1.130 0.008 51 2 . . . A 147 ILE HG13 . 11469 1 524 . 1 1 43 43 ILE HG21 H 1 0.930 0.006 58 1 . . . A 147 ILE HG21 . 11469 1 525 . 1 1 43 43 ILE HG22 H 1 0.930 0.006 58 1 . . . A 147 ILE HG22 . 11469 1 526 . 1 1 43 43 ILE HG23 H 1 0.930 0.006 58 1 . . . A 147 ILE HG23 . 11469 1 527 . 1 1 43 43 ILE HD11 H 1 0.818 0.007 50 1 . . . A 147 ILE HD11 . 11469 1 528 . 1 1 43 43 ILE HD12 H 1 0.818 0.007 50 1 . . . A 147 ILE HD12 . 11469 1 529 . 1 1 43 43 ILE HD13 H 1 0.818 0.007 50 1 . . . A 147 ILE HD13 . 11469 1 530 . 1 1 43 43 ILE C C 13 174.667 . 1 1 . . . A 147 ILE C . 11469 1 531 . 1 1 43 43 ILE CA C 13 57.699 0.102 45 1 . . . A 147 ILE CA . 11469 1 532 . 1 1 43 43 ILE CB C 13 38.960 0.049 43 1 . . . A 147 ILE CB . 11469 1 533 . 1 1 43 43 ILE CG1 C 13 26.808 0.064 71 1 . . . A 147 ILE CG1 . 11469 1 534 . 1 1 43 43 ILE CG2 C 13 16.823 0.063 45 1 . . . A 147 ILE CG2 . 11469 1 535 . 1 1 43 43 ILE CD1 C 13 12.272 0.098 37 1 . . . A 147 ILE CD1 . 11469 1 536 . 1 1 43 43 ILE N N 15 124.268 0.036 59 1 . . . A 147 ILE N . 11469 1 537 . 1 1 44 44 PRO HA H 1 4.380 0.010 47 1 . . . A 148 PRO HA . 11469 1 538 . 1 1 44 44 PRO HB2 H 1 1.953 0.013 21 2 . . . A 148 PRO HB2 . 11469 1 539 . 1 1 44 44 PRO HB3 H 1 2.151 0.010 37 2 . . . A 148 PRO HB3 . 11469 1 540 . 1 1 44 44 PRO HG2 H 1 2.008 0.010 34 2 . . . A 148 PRO HG2 . 11469 1 541 . 1 1 44 44 PRO HG3 H 1 2.008 0.010 34 2 . . . A 148 PRO HG3 . 11469 1 542 . 1 1 44 44 PRO HD2 H 1 3.727 0.009 40 2 . . . A 148 PRO HD2 . 11469 1 543 . 1 1 44 44 PRO HD3 H 1 3.862 0.009 38 2 . . . A 148 PRO HD3 . 11469 1 544 . 1 1 44 44 PRO C C 13 176.228 0.005 2 1 . . . A 148 PRO C . 11469 1 545 . 1 1 44 44 PRO CA C 13 62.626 0.104 44 1 . . . A 148 PRO CA . 11469 1 546 . 1 1 44 44 PRO CB C 13 32.304 0.073 41 1 . . . A 148 PRO CB . 11469 1 547 . 1 1 44 44 PRO CG C 13 27.160 0.087 32 1 . . . A 148 PRO CG . 11469 1 548 . 1 1 44 44 PRO CD C 13 50.781 0.068 52 1 . . . A 148 PRO CD . 11469 1 549 . 1 1 45 45 ASP H H 1 8.672 0.005 51 1 . . . A 149 ASP H . 11469 1 550 . 1 1 45 45 ASP HA H 1 4.433 0.005 15 1 . . . A 149 ASP HA . 11469 1 551 . 1 1 45 45 ASP HB2 H 1 2.686 . 1 2 . . . A 149 ASP HB2 . 11469 1 552 . 1 1 45 45 ASP HB3 H 1 2.665 . 1 2 . . . A 149 ASP HB3 . 11469 1 553 . 1 1 45 45 ASP C C 13 175.645 0.009 2 1 . . . A 149 ASP C . 11469 1 554 . 1 1 45 45 ASP CA C 13 55.294 0.080 16 1 . . . A 149 ASP CA . 11469 1 555 . 1 1 45 45 ASP CB C 13 41.152 0.069 12 1 . . . A 149 ASP CB . 11469 1 556 . 1 1 45 45 ASP CG C 13 179.680 . 2 1 . . . A 149 ASP CG . 11469 1 557 . 1 1 45 45 ASP N N 15 120.937 0.045 47 1 . . . A 149 ASP N . 11469 1 558 . 1 1 46 46 LYS H H 1 7.665 0.004 64 1 . . . A 150 LYS H . 11469 1 559 . 1 1 46 46 LYS HA H 1 4.705 0.006 47 1 . . . A 150 LYS HA . 11469 1 560 . 1 1 46 46 LYS HB2 H 1 1.758 0.011 37 2 . . . A 150 LYS HB2 . 11469 1 561 . 1 1 46 46 LYS HB3 H 1 1.571 0.011 42 2 . . . A 150 LYS HB3 . 11469 1 562 . 1 1 46 46 LYS HG2 H 1 1.378 0.008 33 2 . . . A 150 LYS HG2 . 11469 1 563 . 1 1 46 46 LYS HG3 H 1 1.378 0.008 33 2 . . . A 150 LYS HG3 . 11469 1 564 . 1 1 46 46 LYS HD2 H 1 1.665 0.004 23 2 . . . A 150 LYS HD2 . 11469 1 565 . 1 1 46 46 LYS HD3 H 1 1.665 0.004 23 2 . . . A 150 LYS HD3 . 11469 1 566 . 1 1 46 46 LYS HE2 H 1 2.969 0.003 16 2 . . . A 150 LYS HE2 . 11469 1 567 . 1 1 46 46 LYS HE3 H 1 2.969 0.003 16 2 . . . A 150 LYS HE3 . 11469 1 568 . 1 1 46 46 LYS C C 13 173.357 . 1 1 . . . A 150 LYS C . 11469 1 569 . 1 1 46 46 LYS CA C 13 52.944 0.042 37 1 . . . A 150 LYS CA . 11469 1 570 . 1 1 46 46 LYS CB C 13 33.306 0.095 57 1 . . . A 150 LYS CB . 11469 1 571 . 1 1 46 46 LYS CG C 13 24.127 0.071 23 1 . . . A 150 LYS CG . 11469 1 572 . 1 1 46 46 LYS CD C 13 28.793 0.049 12 1 . . . A 150 LYS CD . 11469 1 573 . 1 1 46 46 LYS CE C 13 41.649 0.022 6 1 . . . A 150 LYS CE . 11469 1 574 . 1 1 46 46 LYS N N 15 118.255 0.043 60 1 . . . A 150 LYS N . 11469 1 575 . 1 1 47 47 PRO HA H 1 4.297 0.007 14 1 . . . A 151 PRO HA . 11469 1 576 . 1 1 47 47 PRO HB2 H 1 1.889 0.007 8 2 . . . A 151 PRO HB2 . 11469 1 577 . 1 1 47 47 PRO HB3 H 1 2.286 0.012 9 2 . . . A 151 PRO HB3 . 11469 1 578 . 1 1 47 47 PRO HG2 H 1 2.074 0.003 4 2 . . . A 151 PRO HG2 . 11469 1 579 . 1 1 47 47 PRO HG3 H 1 2.074 0.003 4 2 . . . A 151 PRO HG3 . 11469 1 580 . 1 1 47 47 PRO HD2 H 1 3.612 0.010 16 2 . . . A 151 PRO HD2 . 11469 1 581 . 1 1 47 47 PRO HD3 H 1 3.804 0.008 20 2 . . . A 151 PRO HD3 . 11469 1 582 . 1 1 47 47 PRO C C 13 177.606 0.010 2 1 . . . A 151 PRO C . 11469 1 583 . 1 1 47 47 PRO CA C 13 63.366 0.055 15 1 . . . A 151 PRO CA . 11469 1 584 . 1 1 47 47 PRO CB C 13 31.620 0.126 10 1 . . . A 151 PRO CB . 11469 1 585 . 1 1 47 47 PRO CG C 13 27.010 0.012 2 1 . . . A 151 PRO CG . 11469 1 586 . 1 1 47 47 PRO CD C 13 50.454 0.097 28 1 . . . A 151 PRO CD . 11469 1 587 . 1 1 48 48 GLY H H 1 8.730 0.004 30 1 . . . A 152 GLY H . 11469 1 588 . 1 1 48 48 GLY HA2 H 1 4.148 0.006 22 2 . . . A 152 GLY HA2 . 11469 1 589 . 1 1 48 48 GLY HA3 H 1 3.727 0.007 22 2 . . . A 152 GLY HA3 . 11469 1 590 . 1 1 48 48 GLY C C 13 173.935 0.012 3 1 . . . A 152 GLY C . 11469 1 591 . 1 1 48 48 GLY CA C 13 44.988 0.046 35 1 . . . A 152 GLY CA . 11469 1 592 . 1 1 48 48 GLY N N 15 111.231 0.032 26 1 . . . A 152 GLY N . 11469 1 593 . 1 1 49 49 GLU H H 1 7.698 0.002 51 1 . . . A 153 GLU H . 11469 1 594 . 1 1 49 49 GLU HA H 1 4.511 0.006 25 1 . . . A 153 GLU HA . 11469 1 595 . 1 1 49 49 GLU HB2 H 1 1.965 0.011 22 2 . . . A 153 GLU HB2 . 11469 1 596 . 1 1 49 49 GLU HB3 H 1 2.146 0.011 25 2 . . . A 153 GLU HB3 . 11469 1 597 . 1 1 49 49 GLU HG2 H 1 2.223 0.009 12 2 . . . A 153 GLU HG2 . 11469 1 598 . 1 1 49 49 GLU HG3 H 1 2.165 0.006 7 2 . . . A 153 GLU HG3 . 11469 1 599 . 1 1 49 49 GLU C C 13 175.702 . 2 1 . . . A 153 GLU C . 11469 1 600 . 1 1 49 49 GLU CA C 13 55.082 0.059 20 1 . . . A 153 GLU CA . 11469 1 601 . 1 1 49 49 GLU CB C 13 30.823 0.067 42 1 . . . A 153 GLU CB . 11469 1 602 . 1 1 49 49 GLU CG C 13 36.303 0.074 21 1 . . . A 153 GLU CG . 11469 1 603 . 1 1 49 49 GLU CD C 13 183.206 0.006 2 1 . . . A 153 GLU CD . 11469 1 604 . 1 1 49 49 GLU N N 15 119.502 0.047 45 1 . . . A 153 GLU N . 11469 1 605 . 1 1 50 50 SER H H 1 8.486 0.003 35 1 . . . A 154 SER H . 11469 1 606 . 1 1 50 50 SER HA H 1 4.465 0.010 12 1 . . . A 154 SER HA . 11469 1 607 . 1 1 50 50 SER HB2 H 1 3.852 0.007 5 2 . . . A 154 SER HB2 . 11469 1 608 . 1 1 50 50 SER HB3 H 1 3.792 0.010 5 2 . . . A 154 SER HB3 . 11469 1 609 . 1 1 50 50 SER C C 13 173.968 . 1 1 . . . A 154 SER C . 11469 1 610 . 1 1 50 50 SER CA C 13 57.877 0.068 17 1 . . . A 154 SER CA . 11469 1 611 . 1 1 50 50 SER CB C 13 63.653 0.072 7 1 . . . A 154 SER CB . 11469 1 612 . 1 1 50 50 SER N N 15 116.084 0.014 33 1 . . . A 154 SER N . 11469 1 613 . 1 1 51 51 ALA H H 1 8.649 0.004 40 1 . . . A 155 ALA H . 11469 1 614 . 1 1 51 51 ALA HA H 1 4.311 0.004 15 1 . . . A 155 ALA HA . 11469 1 615 . 1 1 51 51 ALA HB1 H 1 1.174 0.017 51 1 . . . A 155 ALA HB1 . 11469 1 616 . 1 1 51 51 ALA HB2 H 1 1.174 0.017 51 1 . . . A 155 ALA HB2 . 11469 1 617 . 1 1 51 51 ALA HB3 H 1 1.174 0.017 51 1 . . . A 155 ALA HB3 . 11469 1 618 . 1 1 51 51 ALA C C 13 176.451 0.010 2 1 . . . A 155 ALA C . 11469 1 619 . 1 1 51 51 ALA CA C 13 51.630 0.076 18 1 . . . A 155 ALA CA . 11469 1 620 . 1 1 51 51 ALA CB C 13 19.288 0.102 52 1 . . . A 155 ALA CB . 11469 1 621 . 1 1 51 51 ALA N N 15 126.762 0.036 38 1 . . . A 155 ALA N . 11469 1 622 . 1 1 52 52 GLU H H 1 8.405 0.003 51 1 . . . A 156 GLU H . 11469 1 623 . 1 1 52 52 GLU HA H 1 4.265 0.005 24 1 . . . A 156 GLU HA . 11469 1 624 . 1 1 52 52 GLU HB2 H 1 1.934 0.007 7 2 . . . A 156 GLU HB2 . 11469 1 625 . 1 1 52 52 GLU HB3 H 1 1.852 0.004 9 2 . . . A 156 GLU HB3 . 11469 1 626 . 1 1 52 52 GLU HG2 H 1 2.224 0.002 4 2 . . . A 156 GLU HG2 . 11469 1 627 . 1 1 52 52 GLU HG3 H 1 2.148 0.002 7 2 . . . A 156 GLU HG3 . 11469 1 628 . 1 1 52 52 GLU C C 13 175.428 0.013 2 1 . . . A 156 GLU C . 11469 1 629 . 1 1 52 52 GLU CA C 13 55.400 0.062 21 1 . . . A 156 GLU CA . 11469 1 630 . 1 1 52 52 GLU CB C 13 30.446 0.059 14 1 . . . A 156 GLU CB . 11469 1 631 . 1 1 52 52 GLU CG C 13 35.912 0.093 10 1 . . . A 156 GLU CG . 11469 1 632 . 1 1 52 52 GLU CD C 13 183.870 . 1 1 . . . A 156 GLU CD . 11469 1 633 . 1 1 52 52 GLU N N 15 121.542 0.053 49 1 . . . A 156 GLU N . 11469 1 634 . 1 1 53 53 VAL H H 1 8.381 0.004 40 1 . . . A 157 VAL H . 11469 1 635 . 1 1 53 53 VAL HA H 1 4.147 0.010 50 1 . . . A 157 VAL HA . 11469 1 636 . 1 1 53 53 VAL HB H 1 1.963 0.006 18 1 . . . A 157 VAL HB . 11469 1 637 . 1 1 53 53 VAL HG11 H 1 0.916 0.010 53 2 . . . A 157 VAL HG11 . 11469 1 638 . 1 1 53 53 VAL HG12 H 1 0.916 0.010 53 2 . . . A 157 VAL HG12 . 11469 1 639 . 1 1 53 53 VAL HG13 H 1 0.916 0.010 53 2 . . . A 157 VAL HG13 . 11469 1 640 . 1 1 53 53 VAL HG21 H 1 0.916 0.010 53 2 . . . A 157 VAL HG21 . 11469 1 641 . 1 1 53 53 VAL HG22 H 1 0.916 0.010 53 2 . . . A 157 VAL HG22 . 11469 1 642 . 1 1 53 53 VAL HG23 H 1 0.916 0.010 53 2 . . . A 157 VAL HG23 . 11469 1 643 . 1 1 53 53 VAL C C 13 174.250 . 1 1 . . . A 157 VAL C . 11469 1 644 . 1 1 53 53 VAL CA C 13 59.934 0.072 45 1 . . . A 157 VAL CA . 11469 1 645 . 1 1 53 53 VAL CB C 13 32.200 0.046 14 1 . . . A 157 VAL CB . 11469 1 646 . 1 1 53 53 VAL CG1 C 13 20.872 0.073 44 2 . . . A 157 VAL CG1 . 11469 1 647 . 1 1 53 53 VAL CG2 C 13 20.872 0.073 44 2 . . . A 157 VAL CG2 . 11469 1 648 . 1 1 53 53 VAL N N 15 124.884 0.077 40 1 . . . A 157 VAL N . 11469 1 649 . 1 1 54 54 PRO HA H 1 4.766 0.004 52 1 . . . A 158 PRO HA . 11469 1 650 . 1 1 54 54 PRO HB2 H 1 2.003 0.013 25 2 . . . A 158 PRO HB2 . 11469 1 651 . 1 1 54 54 PRO HB3 H 1 2.384 0.009 41 2 . . . A 158 PRO HB3 . 11469 1 652 . 1 1 54 54 PRO HG2 H 1 2.218 0.009 40 2 . . . A 158 PRO HG2 . 11469 1 653 . 1 1 54 54 PRO HG3 H 1 2.051 0.017 15 2 . . . A 158 PRO HG3 . 11469 1 654 . 1 1 54 54 PRO HD2 H 1 3.608 0.009 44 2 . . . A 158 PRO HD2 . 11469 1 655 . 1 1 54 54 PRO HD3 H 1 3.956 0.008 49 2 . . . A 158 PRO HD3 . 11469 1 656 . 1 1 54 54 PRO CA C 13 61.148 0.048 37 1 . . . A 158 PRO CA . 11469 1 657 . 1 1 54 54 PRO CB C 13 31.221 0.083 50 1 . . . A 158 PRO CB . 11469 1 658 . 1 1 54 54 PRO CG C 13 27.025 0.090 44 1 . . . A 158 PRO CG . 11469 1 659 . 1 1 54 54 PRO CD C 13 50.647 0.078 72 1 . . . A 158 PRO CD . 11469 1 660 . 1 1 55 55 PRO HA H 1 4.280 0.006 31 1 . . . A 159 PRO HA . 11469 1 661 . 1 1 55 55 PRO HB2 H 1 2.325 0.007 20 2 . . . A 159 PRO HB2 . 11469 1 662 . 1 1 55 55 PRO HB3 H 1 1.961 0.014 18 2 . . . A 159 PRO HB3 . 11469 1 663 . 1 1 55 55 PRO HG2 H 1 2.068 0.010 25 2 . . . A 159 PRO HG2 . 11469 1 664 . 1 1 55 55 PRO HG3 H 1 2.068 0.010 25 2 . . . A 159 PRO HG3 . 11469 1 665 . 1 1 55 55 PRO HD2 H 1 3.802 0.006 36 2 . . . A 159 PRO HD2 . 11469 1 666 . 1 1 55 55 PRO HD3 H 1 3.802 0.006 36 2 . . . A 159 PRO HD3 . 11469 1 667 . 1 1 55 55 PRO C C 13 176.314 0.013 2 1 . . . A 159 PRO C . 11469 1 668 . 1 1 55 55 PRO CA C 13 64.048 0.082 29 1 . . . A 159 PRO CA . 11469 1 669 . 1 1 55 55 PRO CB C 13 31.573 0.114 21 1 . . . A 159 PRO CB . 11469 1 670 . 1 1 55 55 PRO CG C 13 27.207 0.086 21 1 . . . A 159 PRO CG . 11469 1 671 . 1 1 55 55 PRO CD C 13 50.052 0.099 32 1 . . . A 159 PRO CD . 11469 1 672 . 1 1 56 56 VAL H H 1 7.111 0.002 51 1 . . . A 160 VAL H . 11469 1 673 . 1 1 56 56 VAL HA H 1 4.126 0.006 35 1 . . . A 160 VAL HA . 11469 1 674 . 1 1 56 56 VAL HB H 1 1.721 0.004 41 1 . . . A 160 VAL HB . 11469 1 675 . 1 1 56 56 VAL HG11 H 1 0.771 0.008 35 2 . . . A 160 VAL HG11 . 11469 1 676 . 1 1 56 56 VAL HG12 H 1 0.771 0.008 35 2 . . . A 160 VAL HG12 . 11469 1 677 . 1 1 56 56 VAL HG13 H 1 0.771 0.008 35 2 . . . A 160 VAL HG13 . 11469 1 678 . 1 1 56 56 VAL HG21 H 1 0.509 0.008 57 2 . . . A 160 VAL HG21 . 11469 1 679 . 1 1 56 56 VAL HG22 H 1 0.509 0.008 57 2 . . . A 160 VAL HG22 . 11469 1 680 . 1 1 56 56 VAL HG23 H 1 0.509 0.008 57 2 . . . A 160 VAL HG23 . 11469 1 681 . 1 1 56 56 VAL C C 13 173.691 0.012 2 1 . . . A 160 VAL C . 11469 1 682 . 1 1 56 56 VAL CA C 13 60.753 0.054 31 1 . . . A 160 VAL CA . 11469 1 683 . 1 1 56 56 VAL CB C 13 34.006 0.062 34 1 . . . A 160 VAL CB . 11469 1 684 . 1 1 56 56 VAL CG1 C 13 20.435 0.082 22 2 . . . A 160 VAL CG1 . 11469 1 685 . 1 1 56 56 VAL CG2 C 13 20.467 0.044 43 2 . . . A 160 VAL CG2 . 11469 1 686 . 1 1 56 56 VAL N N 15 115.124 0.036 47 1 . . . A 160 VAL N . 11469 1 687 . 1 1 57 57 PHE H H 1 8.714 0.003 65 1 . . . A 161 PHE H . 11469 1 688 . 1 1 57 57 PHE HA H 1 4.318 0.008 23 1 . . . A 161 PHE HA . 11469 1 689 . 1 1 57 57 PHE HB2 H 1 2.833 0.007 14 2 . . . A 161 PHE HB2 . 11469 1 690 . 1 1 57 57 PHE HB3 H 1 2.680 0.013 11 2 . . . A 161 PHE HB3 . 11469 1 691 . 1 1 57 57 PHE HD1 H 1 6.904 0.013 30 3 . . . A 161 PHE HD1 . 11469 1 692 . 1 1 57 57 PHE HD2 H 1 6.904 0.013 30 3 . . . A 161 PHE HD2 . 11469 1 693 . 1 1 57 57 PHE HE1 H 1 7.109 0.007 8 3 . . . A 161 PHE HE1 . 11469 1 694 . 1 1 57 57 PHE HE2 H 1 7.109 0.007 8 3 . . . A 161 PHE HE2 . 11469 1 695 . 1 1 57 57 PHE C C 13 171.130 0.023 2 1 . . . A 161 PHE C . 11469 1 696 . 1 1 57 57 PHE CA C 13 58.087 0.056 22 1 . . . A 161 PHE CA . 11469 1 697 . 1 1 57 57 PHE CB C 13 40.858 0.050 28 1 . . . A 161 PHE CB . 11469 1 698 . 1 1 57 57 PHE CD1 C 13 131.369 0.114 32 3 . . . A 161 PHE CD1 . 11469 1 699 . 1 1 57 57 PHE CD2 C 13 131.369 0.114 32 3 . . . A 161 PHE CD2 . 11469 1 700 . 1 1 57 57 PHE N N 15 128.796 0.016 59 1 . . . A 161 PHE N . 11469 1 701 . 1 1 58 58 TYR H H 1 6.816 0.006 53 1 . . . A 162 TYR H . 11469 1 702 . 1 1 58 58 TYR HA H 1 5.452 0.007 41 1 . . . A 162 TYR HA . 11469 1 703 . 1 1 58 58 TYR HB2 H 1 2.159 0.010 44 2 . . . A 162 TYR HB2 . 11469 1 704 . 1 1 58 58 TYR HB3 H 1 2.730 0.011 34 2 . . . A 162 TYR HB3 . 11469 1 705 . 1 1 58 58 TYR HD1 H 1 6.998 0.011 49 3 . . . A 162 TYR HD1 . 11469 1 706 . 1 1 58 58 TYR HD2 H 1 6.998 0.011 49 3 . . . A 162 TYR HD2 . 11469 1 707 . 1 1 58 58 TYR HE1 H 1 6.429 0.007 34 3 . . . A 162 TYR HE1 . 11469 1 708 . 1 1 58 58 TYR HE2 H 1 6.429 0.007 34 3 . . . A 162 TYR HE2 . 11469 1 709 . 1 1 58 58 TYR C C 13 174.624 0.001 2 1 . . . A 162 TYR C . 11469 1 710 . 1 1 58 58 TYR CA C 13 54.537 0.064 37 1 . . . A 162 TYR CA . 11469 1 711 . 1 1 58 58 TYR CB C 13 41.614 0.078 65 1 . . . A 162 TYR CB . 11469 1 712 . 1 1 58 58 TYR CD1 C 13 132.576 0.092 45 3 . . . A 162 TYR CD1 . 11469 1 713 . 1 1 58 58 TYR CD2 C 13 132.576 0.092 45 3 . . . A 162 TYR CD2 . 11469 1 714 . 1 1 58 58 TYR CE1 C 13 117.231 0.085 33 3 . . . A 162 TYR CE1 . 11469 1 715 . 1 1 58 58 TYR CE2 C 13 117.231 0.085 33 3 . . . A 162 TYR CE2 . 11469 1 716 . 1 1 58 58 TYR N N 15 123.280 0.047 46 1 . . . A 162 TYR N . 11469 1 717 . 1 1 59 59 CYS H H 1 9.981 0.002 60 1 . . . A 163 CYS H . 11469 1 718 . 1 1 59 59 CYS HA H 1 4.301 0.007 27 1 . . . A 163 CYS HA . 11469 1 719 . 1 1 59 59 CYS HB2 H 1 3.336 0.010 32 2 . . . A 163 CYS HB2 . 11469 1 720 . 1 1 59 59 CYS HB3 H 1 2.629 0.008 24 2 . . . A 163 CYS HB3 . 11469 1 721 . 1 1 59 59 CYS C C 13 173.387 0.011 2 1 . . . A 163 CYS C . 11469 1 722 . 1 1 59 59 CYS CA C 13 58.336 0.060 24 1 . . . A 163 CYS CA . 11469 1 723 . 1 1 59 59 CYS CB C 13 29.739 0.075 45 1 . . . A 163 CYS CB . 11469 1 724 . 1 1 59 59 CYS N N 15 122.815 0.022 52 1 . . . A 163 CYS N . 11469 1 725 . 1 1 60 60 GLU H H 1 9.487 0.002 59 1 . . . A 164 GLU H . 11469 1 726 . 1 1 60 60 GLU HA H 1 3.950 0.009 46 1 . . . A 164 GLU HA . 11469 1 727 . 1 1 60 60 GLU HB2 H 1 2.154 0.009 12 2 . . . A 164 GLU HB2 . 11469 1 728 . 1 1 60 60 GLU HB3 H 1 2.071 0.007 14 2 . . . A 164 GLU HB3 . 11469 1 729 . 1 1 60 60 GLU HG2 H 1 2.458 0.008 34 2 . . . A 164 GLU HG2 . 11469 1 730 . 1 1 60 60 GLU HG3 H 1 2.181 0.011 32 2 . . . A 164 GLU HG3 . 11469 1 731 . 1 1 60 60 GLU C C 13 177.120 0.018 2 1 . . . A 164 GLU C . 11469 1 732 . 1 1 60 60 GLU CA C 13 58.882 0.079 38 1 . . . A 164 GLU CA . 11469 1 733 . 1 1 60 60 GLU CB C 13 27.484 0.082 27 1 . . . A 164 GLU CB . 11469 1 734 . 1 1 60 60 GLU CG C 13 35.359 0.082 60 1 . . . A 164 GLU CG . 11469 1 735 . 1 1 60 60 GLU CD C 13 182.746 0.003 2 1 . . . A 164 GLU CD . 11469 1 736 . 1 1 60 60 GLU N N 15 119.731 0.026 50 1 . . . A 164 GLU N . 11469 1 737 . 1 1 61 61 LEU H H 1 7.913 0.003 65 1 . . . A 165 LEU H . 11469 1 738 . 1 1 61 61 LEU HA H 1 4.335 0.006 45 1 . . . A 165 LEU HA . 11469 1 739 . 1 1 61 61 LEU HB2 H 1 1.876 0.009 51 2 . . . A 165 LEU HB2 . 11469 1 740 . 1 1 61 61 LEU HB3 H 1 1.508 0.011 46 2 . . . A 165 LEU HB3 . 11469 1 741 . 1 1 61 61 LEU HG H 1 1.662 0.011 37 1 . . . A 165 LEU HG . 11469 1 742 . 1 1 61 61 LEU HD11 H 1 0.874 0.011 41 2 . . . A 165 LEU HD11 . 11469 1 743 . 1 1 61 61 LEU HD12 H 1 0.874 0.011 41 2 . . . A 165 LEU HD12 . 11469 1 744 . 1 1 61 61 LEU HD13 H 1 0.874 0.011 41 2 . . . A 165 LEU HD13 . 11469 1 745 . 1 1 61 61 LEU HD21 H 1 0.829 0.012 44 2 . . . A 165 LEU HD21 . 11469 1 746 . 1 1 61 61 LEU HD22 H 1 0.829 0.012 44 2 . . . A 165 LEU HD22 . 11469 1 747 . 1 1 61 61 LEU HD23 H 1 0.829 0.012 44 2 . . . A 165 LEU HD23 . 11469 1 748 . 1 1 61 61 LEU C C 13 179.707 0.014 2 1 . . . A 165 LEU C . 11469 1 749 . 1 1 61 61 LEU CA C 13 56.935 0.066 36 1 . . . A 165 LEU CA . 11469 1 750 . 1 1 61 61 LEU CB C 13 41.474 0.069 71 1 . . . A 165 LEU CB . 11469 1 751 . 1 1 61 61 LEU CG C 13 26.829 0.057 28 1 . . . A 165 LEU CG . 11469 1 752 . 1 1 61 61 LEU CD1 C 13 24.448 0.092 34 2 . . . A 165 LEU CD1 . 11469 1 753 . 1 1 61 61 LEU CD2 C 13 22.327 0.078 36 2 . . . A 165 LEU CD2 . 11469 1 754 . 1 1 61 61 LEU N N 15 121.926 0.031 56 1 . . . A 165 LEU N . 11469 1 755 . 1 1 62 62 CYS H H 1 8.476 0.004 66 1 . . . A 166 CYS H . 11469 1 756 . 1 1 62 62 CYS HA H 1 3.826 0.008 20 1 . . . A 166 CYS HA . 11469 1 757 . 1 1 62 62 CYS HB2 H 1 2.794 0.005 9 2 . . . A 166 CYS HB2 . 11469 1 758 . 1 1 62 62 CYS HB3 H 1 2.731 0.007 8 2 . . . A 166 CYS HB3 . 11469 1 759 . 1 1 62 62 CYS C C 13 178.170 0.007 2 1 . . . A 166 CYS C . 11469 1 760 . 1 1 62 62 CYS CA C 13 64.061 0.055 21 1 . . . A 166 CYS CA . 11469 1 761 . 1 1 62 62 CYS CB C 13 29.191 0.065 36 1 . . . A 166 CYS CB . 11469 1 762 . 1 1 62 62 CYS N N 15 126.338 0.032 57 1 . . . A 166 CYS N . 11469 1 763 . 1 1 63 63 ARG H H 1 8.549 0.003 63 1 . . . A 167 ARG H . 11469 1 764 . 1 1 63 63 ARG HA H 1 3.732 0.010 61 1 . . . A 167 ARG HA . 11469 1 765 . 1 1 63 63 ARG HB2 H 1 1.802 0.005 18 2 . . . A 167 ARG HB2 . 11469 1 766 . 1 1 63 63 ARG HB3 H 1 1.705 0.007 12 2 . . . A 167 ARG HB3 . 11469 1 767 . 1 1 63 63 ARG HG2 H 1 1.635 0.008 9 2 . . . A 167 ARG HG2 . 11469 1 768 . 1 1 63 63 ARG HG3 H 1 1.544 0.010 9 2 . . . A 167 ARG HG3 . 11469 1 769 . 1 1 63 63 ARG HD2 H 1 3.173 0.005 37 2 . . . A 167 ARG HD2 . 11469 1 770 . 1 1 63 63 ARG HD3 H 1 3.173 0.005 37 2 . . . A 167 ARG HD3 . 11469 1 771 . 1 1 63 63 ARG HE H 1 6.829 0.005 9 1 . . . A 167 ARG HE . 11469 1 772 . 1 1 63 63 ARG C C 13 177.678 0.024 2 1 . . . A 167 ARG C . 11469 1 773 . 1 1 63 63 ARG CA C 13 58.521 0.076 57 1 . . . A 167 ARG CA . 11469 1 774 . 1 1 63 63 ARG CB C 13 29.786 0.095 28 1 . . . A 167 ARG CB . 11469 1 775 . 1 1 63 63 ARG CG C 13 27.185 0.094 22 1 . . . A 167 ARG CG . 11469 1 776 . 1 1 63 63 ARG CD C 13 43.157 0.096 25 1 . . . A 167 ARG CD . 11469 1 777 . 1 1 63 63 ARG CZ C 13 159.442 . 1 1 . . . A 167 ARG CZ . 11469 1 778 . 1 1 63 63 ARG N N 15 117.745 0.051 58 1 . . . A 167 ARG N . 11469 1 779 . 1 1 63 63 ARG NE N 15 83.483 0.050 8 1 . . . A 167 ARG NE . 11469 1 780 . 1 1 64 64 LEU H H 1 7.282 0.003 67 1 . . . A 168 LEU H . 11469 1 781 . 1 1 64 64 LEU HA H 1 4.150 0.006 39 1 . . . A 168 LEU HA . 11469 1 782 . 1 1 64 64 LEU HB2 H 1 1.770 0.011 35 2 . . . A 168 LEU HB2 . 11469 1 783 . 1 1 64 64 LEU HB3 H 1 1.570 0.012 34 2 . . . A 168 LEU HB3 . 11469 1 784 . 1 1 64 64 LEU HG H 1 1.754 0.013 16 1 . . . A 168 LEU HG . 11469 1 785 . 1 1 64 64 LEU HD11 H 1 0.930 0.006 35 2 . . . A 168 LEU HD11 . 11469 1 786 . 1 1 64 64 LEU HD12 H 1 0.930 0.006 35 2 . . . A 168 LEU HD12 . 11469 1 787 . 1 1 64 64 LEU HD13 H 1 0.930 0.006 35 2 . . . A 168 LEU HD13 . 11469 1 788 . 1 1 64 64 LEU HD21 H 1 0.859 0.007 37 2 . . . A 168 LEU HD21 . 11469 1 789 . 1 1 64 64 LEU HD22 H 1 0.859 0.007 37 2 . . . A 168 LEU HD22 . 11469 1 790 . 1 1 64 64 LEU HD23 H 1 0.859 0.007 37 2 . . . A 168 LEU HD23 . 11469 1 791 . 1 1 64 64 LEU C C 13 178.147 0.007 2 1 . . . A 168 LEU C . 11469 1 792 . 1 1 64 64 LEU CA C 13 56.355 0.069 30 1 . . . A 168 LEU CA . 11469 1 793 . 1 1 64 64 LEU CB C 13 41.685 0.047 48 1 . . . A 168 LEU CB . 11469 1 794 . 1 1 64 64 LEU CG C 13 26.496 0.074 18 1 . . . A 168 LEU CG . 11469 1 795 . 1 1 64 64 LEU CD1 C 13 24.823 0.096 23 2 . . . A 168 LEU CD1 . 11469 1 796 . 1 1 64 64 LEU CD2 C 13 22.790 0.053 22 2 . . . A 168 LEU CD2 . 11469 1 797 . 1 1 64 64 LEU N N 15 118.350 0.028 59 1 . . . A 168 LEU N . 11469 1 798 . 1 1 65 65 SER H H 1 7.607 0.005 46 1 . . . A 169 SER H . 11469 1 799 . 1 1 65 65 SER HA H 1 4.367 0.007 19 1 . . . A 169 SER HA . 11469 1 800 . 1 1 65 65 SER HB2 H 1 3.860 0.003 2 2 . . . A 169 SER HB2 . 11469 1 801 . 1 1 65 65 SER HB3 H 1 3.803 0.003 5 2 . . . A 169 SER HB3 . 11469 1 802 . 1 1 65 65 SER C C 13 174.296 0.005 2 1 . . . A 169 SER C . 11469 1 803 . 1 1 65 65 SER CA C 13 58.596 0.079 17 1 . . . A 169 SER CA . 11469 1 804 . 1 1 65 65 SER CB C 13 63.118 0.070 10 1 . . . A 169 SER CB . 11469 1 805 . 1 1 65 65 SER N N 15 113.107 0.041 39 1 . . . A 169 SER N . 11469 1 806 . 1 1 66 66 ARG H H 1 7.581 0.003 51 1 . . . A 170 ARG H . 11469 1 807 . 1 1 66 66 ARG HA H 1 4.237 0.009 48 1 . . . A 170 ARG HA . 11469 1 808 . 1 1 66 66 ARG HB2 H 1 1.466 0.012 48 2 . . . A 170 ARG HB2 . 11469 1 809 . 1 1 66 66 ARG HB3 H 1 1.784 0.009 40 2 . . . A 170 ARG HB3 . 11469 1 810 . 1 1 66 66 ARG HG2 H 1 1.397 0.011 31 2 . . . A 170 ARG HG2 . 11469 1 811 . 1 1 66 66 ARG HG3 H 1 1.397 0.011 31 2 . . . A 170 ARG HG3 . 11469 1 812 . 1 1 66 66 ARG HD2 H 1 2.572 0.004 21 2 . . . A 170 ARG HD2 . 11469 1 813 . 1 1 66 66 ARG HD3 H 1 2.472 0.007 22 2 . . . A 170 ARG HD3 . 11469 1 814 . 1 1 66 66 ARG HE H 1 7.041 0.004 5 1 . . . A 170 ARG HE . 11469 1 815 . 1 1 66 66 ARG C C 13 175.267 0.009 2 1 . . . A 170 ARG C . 11469 1 816 . 1 1 66 66 ARG CA C 13 55.749 0.105 40 1 . . . A 170 ARG CA . 11469 1 817 . 1 1 66 66 ARG CB C 13 30.619 0.067 67 1 . . . A 170 ARG CB . 11469 1 818 . 1 1 66 66 ARG CG C 13 27.015 0.080 27 1 . . . A 170 ARG CG . 11469 1 819 . 1 1 66 66 ARG CD C 13 42.323 0.073 44 1 . . . A 170 ARG CD . 11469 1 820 . 1 1 66 66 ARG CZ C 13 158.733 . 1 1 . . . A 170 ARG CZ . 11469 1 821 . 1 1 66 66 ARG N N 15 121.368 0.014 44 1 . . . A 170 ARG N . 11469 1 822 . 1 1 66 66 ARG NE N 15 84.720 0.035 5 1 . . . A 170 ARG NE . 11469 1 823 . 1 1 67 67 ALA H H 1 7.921 0.003 42 1 . . . A 171 ALA H . 11469 1 824 . 1 1 67 67 ALA HA H 1 4.317 0.006 11 1 . . . A 171 ALA HA . 11469 1 825 . 1 1 67 67 ALA HB1 H 1 1.360 0.008 20 1 . . . A 171 ALA HB1 . 11469 1 826 . 1 1 67 67 ALA HB2 H 1 1.360 0.008 20 1 . . . A 171 ALA HB2 . 11469 1 827 . 1 1 67 67 ALA HB3 H 1 1.360 0.008 20 1 . . . A 171 ALA HB3 . 11469 1 828 . 1 1 67 67 ALA C C 13 176.031 0.010 2 1 . . . A 171 ALA C . 11469 1 829 . 1 1 67 67 ALA CA C 13 52.006 0.047 12 1 . . . A 171 ALA CA . 11469 1 830 . 1 1 67 67 ALA CB C 13 19.113 0.042 17 1 . . . A 171 ALA CB . 11469 1 831 . 1 1 67 67 ALA N N 15 124.676 0.021 34 1 . . . A 171 ALA N . 11469 1 832 . 1 1 68 68 ASP H H 1 7.853 0.006 37 1 . . . A 172 ASP H . 11469 1 833 . 1 1 68 68 ASP HA H 1 4.323 0.004 19 1 . . . A 172 ASP HA . 11469 1 834 . 1 1 68 68 ASP HB2 H 1 2.616 0.005 6 2 . . . A 172 ASP HB2 . 11469 1 835 . 1 1 68 68 ASP HB3 H 1 2.525 0.007 7 2 . . . A 172 ASP HB3 . 11469 1 836 . 1 1 68 68 ASP C C 13 180.727 . 1 1 . . . A 172 ASP C . 11469 1 837 . 1 1 68 68 ASP CA C 13 55.536 0.066 15 1 . . . A 172 ASP CA . 11469 1 838 . 1 1 68 68 ASP CB C 13 41.915 0.059 9 1 . . . A 172 ASP CB . 11469 1 839 . 1 1 68 68 ASP CG C 13 181.247 . 2 1 . . . A 172 ASP CG . 11469 1 840 . 1 1 68 68 ASP N N 15 125.202 0.064 35 1 . . . A 172 ASP N . 11469 1 stop_ save_